SCHEMBL6802968

SCHEMBL6802968

N#Cc1ccc(N(Cc2ccc(O)cc2)c2ccncc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.56
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
POLB P06746 1/20 0.49
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA6 P23280 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MMP3 P08254 1/20 0.43
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
MAPKAPK2 P49137 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL6797228 0.91 ESR1 (0.61) CYP19A1ESR1ESR2CA12CA2
SCHEMBL27565504 0.85 POLB (0.49) CYP19A1POLBCRHBPCRHR2MAPKAPK2
SCHEMBL6799976 0.85 CYP19A1 (0.50) CYP19A1ESR1ESR2POLBCA12
SCHEMBL6801305 0.85 CYP19A1 (0.55) CYP19A1ESR1ESR2POLBCA12
SCHEMBL6800386 0.84 CYP19A1 (0.54) CYP19A1ESR1ESR2POLBCA12
SCHEMBL6799206 0.81 CYP19A1 (0.49) CYP19A1ESR1ESR2POLBCA12
SCHEMBL6799479 0.80 CYP19A1 (0.50) CYP19A1ESR1ESR2POLBCA12
SCHEMBL8328066 0.77 CYP19A1 (0.44) CYP19A1ESR1ESR2POLBCRHBP
SCHEMBL6801380 0.77 CYP19A1 (0.62) CYP19A1POLBCA12CA2CA9
SCHEMBL6800189 0.77 POLB (0.42) CYP19A1POLBCRHBPCRHR2MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1308297-C Phenyl sulfamate derivs. TEIKOKU HORMONE MFG CO LTD (JP) 2007-04-04 CN disclosed
US-6762205-B1 STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION TEIKOKU HORMONE MFG. CO., LTD. (JP) 2004-07-13 US disclosed
CN-1360570-A Phenyl sulfamate derivs. TEIKOKU HORMONE MFG CO LTD (JP) 2002-07-24 CN disclosed
EP-1193250-A1 PHENYL SULFAMATE DERIVATIVES Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-04-03 EP disclosed