SCHEMBL28524741

SCHEMBL28524741

COC(=O)c1ccc(C#Cc2ccccc2C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.51
TSHR P16473 2/20 0.49
MAPT P10636 4/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 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
SCHEMBL20764570 0.84 PTPN11 (0.59) PTPN11TSHRMAPTALDH1A1TDP1
SCHEMBL1105504 0.82 TSHR (0.67) PTPN11TSHRMAPTRAB9AALDH1A1
SCHEMBL29985379 0.82 MAPT (0.54) PTPN11TSHRMAPTRAB9AALDH1A1
SCHEMBL29374341 0.82 ALDH1A1 (0.55) PTPN11TSHRMAPTRAB9AALDH1A1
SCHEMBL28516020 0.82 PTPN11 (0.51) PTPN11TSHRMAPTRAB9AALDH1A1
SCHEMBL24230149 0.82 ALDH1A1 (0.55) PTPN11TSHRMAPTRAB9AALDH1A1
SCHEMBL22116791 0.82 MAPT (0.54) PTPN11TSHRMAPTRAB9AALDH1A1
SCHEMBL69268 0.82 PTPN11 (0.69) PTPN11TSHRMAPTRAB9AALDH1A1
SCHEMBL28516018 0.81 PTPN11 (0.50) PTPN11TSHRMAPTRAB9AALDH1A1
SCHEMBL28506838 0.79 RAB9A (0.52) PTPN11TSHRMAPTRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112441940-B Method for synthesizing trifluoroethoxy alkene iodine compound 浙江工业大学 2022-07-22 CN disclosed
CN-112441940-A Method for synthesizing trifluoroethoxy alkene iodine compound 浙江工业大学 2021-03-05 CN disclosed