SCHEMBL17371997

SCHEMBL17371997

OCc1cn(Cc2cc3ccccc3cn2)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.43
POLB P06746 1/20 0.43
MCL1 Q07820 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
F10 P00742 1/20 0.39
HTR6 P50406 2/20 0.39
TBXAS1 P24557 2/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA7 P36544 2/20 0.38
CHRNA4 P43681 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL17384061 0.78 HTR6 (0.45) CYP19A1POLBHTR6TBXAS1CHRNB2
SCHEMBL17371723 0.77 CHRM1 (0.44) CYP19A1POLBHTR6TBXAS1CHRNB2
SCHEMBL17371732 0.77 SLC22A12 (0.52) CYP19A1POLBTBXAS1CHRNB2CHRNA7
SCHEMBL17372091 0.77 CYP19A1 (0.44) CYP19A1POLBHTR6TBXAS1LMNA
SCHEMBL17384023 0.75 CYP19A1 (0.45) CYP19A1POLBTBXAS1CHRNB2CHRNA7
SCHEMBL17371737 0.74 CYP19A1 (0.47) CYP19A1POLBHTR6CHRNB2CHRNA7
SCHEMBL17372151 0.74 CYP19A1 (0.44) CYP19A1POLBHTR6TBXAS1CHRNB2
SCHEMBL17371898 0.74 CYP19A1 (0.44) CYP19A1POLBHTR6TBXAS1CHRNB2
SCHEMBL17384064 0.74 CYP19A1 (0.44) CYP19A1POLBMCL1TBXAS1CHRNB2
SCHEMBL17384024 0.73 LMNA (0.40) CYP19A1POLBF10HTR6TBXAS1

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
WO-2015192343-A1 P53 ACTIVATOR SMALL MOLECULES GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2015-12-23 WO disclosed
WO-2015192343-A1 P53 ACTIVATOR SMALL MOLECULES GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2015-12-23 WO disclosed