SCHEMBL6831301

SCHEMBL6831301

CC(C)c1cccc(C(=N)N)c1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRB2 P47870 2/20 0.43
LMNA P02545 2/20 0.43
FAAH O00519 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
GABRB1 P18505 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
HTR2B P41595 1/20 0.43
GABRA2 P47869 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15543688 0.84 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL30797325 0.81 IRAK4 (0.44) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL458410 0.81 IRAK4 (0.44) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL6864306 0.81 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRB2LMNA
Hydrochloric Acid SCHEMBL30797245 0.79 IRAK4 (0.43) GABRA1GABRG2GABRB3GABRB2LMNA
Hydrochloric Acid SCHEMBL29160773 0.79 IRAK4 (0.43) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL22325667 0.78 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2LMNA
Oxalic Acid SCHEMBL23529511 0.77 IRAK4 (0.41) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL2155166 0.77 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL29214418 0.76 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRB2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 116 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922529-B Catalyst system 阿朗新科荷兰有限公司 2020-05-19 CN claimed
CN-106687468-B Metal complexes comprising amidines and substituted cyclopentadienyl ligands 阿朗新科荷兰有限公司 2020-04-21 CN claimed
CN-106146567-B Organometallic compound and organic electroluminescent device comprising the same 财团法人工业技术研究院 2019-10-01 CN claimed
CN-109111480-A One kind is used as complex of iridium, preparation method and the application of phosphor material 烟台显华光电材料研究院有限公司 2019-01-01 CN claimed
CN-109111485-A One kind is used as complex of iridium, preparation method and the application of phosphor material 烟台显华光电材料研究院有限公司 2019-01-01 CN claimed
CN-109111483-A One kind is used as complex of iridium, preparation method and the application of phosphor material 烟台显华光电材料研究院有限公司 2019-01-01 CN claimed
CN-109111481-A One kind is used as complex of iridium, preparation method and the application of phosphor material 烟台显华光电材料研究院有限公司 2019-01-01 CN claimed
CN-109111484-A One kind is used as complex of iridium, preparation method and the application of phosphor material 烟台显华光电材料研究院有限公司 2019-01-01 CN claimed
CN-109111455-A One kind is used as complex of iridium, preparation method and the application of phosphor material 烟台显华光电材料研究院有限公司 2019-01-01 CN claimed
CN-109111456-A One kind is used as complex of iridium, preparation method and the application of phosphor material 烟台显华光电材料研究院有限公司 2019-01-01 CN claimed
CN-107722065-A One kind is used as transient metal complex, its preparation method and the application of phosphor material 烟台显华光电材料研究院有限公司 2018-02-23 CN claimed
CN-107501335-A One kind is used as transient metal complex, its preparation method and the application of phosphor material 烟台显华光电材料研究院有限公司 2017-12-22 CN claimed
CN-107501334-A One kind is used as transient metal complex, its preparation method and the application of phosphor material 烟台显华光电材料研究院有限公司 2017-12-22 CN claimed
CN-107501333-A One kind is used as transient metal complex, its preparation method and the application of phosphor material 烟台显华光电材料研究院有限公司 2017-12-22 CN claimed
CN-107474075-A One kind is used as transient metal complex, its preparation method and the application of phosphor material 烟台显华光电材料研究院有限公司 2017-12-15 CN claimed
CN-107474074-A One kind is used as transient metal complex, its preparation method and the application of phosphor material 烟台显华光电材料研究院有限公司 2017-12-15 CN claimed
CN-107417738-A One kind is used as transient metal complex, its preparation method and the application of phosphor material 烟台显华光电材料研究院有限公司 2017-12-01 CN claimed
CN-107353311-A One kind is used as transient metal complex, its preparation method and the application of phosphor material 烟台显华光电材料研究院有限公司 2017-11-17 CN claimed
CN-106687468-A Metal complex comprising amidine and substituted cyclopentadienyl ligands 阿朗新科荷兰有限公司 2017-05-17 CN claimed
CN-106146567-A Organometallic compound and organic electroluminescent device comprising the same 财团法人工业技术研究院 2016-11-23 CN claimed