SCHEMBL28459381

SCHEMBL28459381

COc1ccc(CNc2ccccc2C)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 5/20 0.53
HPGD P15428 5/20 0.53
LMNA P02545 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 4/20 0.53
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ADRA2C P18825 1/20 0.48
HDAC1 Q13547 3/20 0.47
POLB P06746 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ABCB1 P08183 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
HDAC2 Q92769 1/20 0.45
CYP3A4 P08684 1/20 0.44
APP P05067 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
SCHEMBL5518455 0.83 MAPT (0.56) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL3412013 0.81 MAPT (0.58) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL11761078 0.75 HDAC1 (0.47) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL8485615 0.75 GAA (0.72) MAPTALDH1A1KDM4ELMNATDP1
Hydrochloric Acid SCHEMBL7564068 0.73 GAA (0.70) MAPTALDH1A1LMNAGAAKMT2A
SCHEMBL5132500 0.72 HDAC1 (0.52) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL11693812 0.72 HDAC1 (0.53) MAPTALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL10055049 0.71 ALDH1A1 (0.55) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL2064658 0.71 GAA (0.61) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL3404445 0.71 ALDH1A1 (0.68) MAPTALDH1A1KDM4EHPGDLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111604021-B Oxidation reaction system for preparing red-based KD and control method thereof 舟山欧莱克新材料科技有限公司 2022-04-08 CN disclosed
CN-111604021-A Oxidation reaction system for preparing red-based KD and control method thereof 舟山欧莱克新材料科技有限公司 2020-09-01 CN disclosed
CN-111610156-A Red-based KD synthesis decoloration reaction concentration monitoring device and operation method thereof 舟山欧莱克新材料科技有限公司 2020-09-01 CN disclosed