SCHEMBL6793776

SCHEMBL6793776

N#Cc1ccc(N(Cc2ccc(O)cc2)Cc2cccs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.47
NSD2 O96028 1/20 0.46
NSD3 Q9BZ95 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.44
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MMP3 P08254 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
GFER P55789 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
SCHEMBL6796669 0.79 CYP19A1 (0.54) CYP19A1TRPM8CA12CA2CA9
SCHEMBL6798926 0.79 CYP19A1 (0.49) CYP19A1CA12CA2CA3CA6
SCHEMBL6802215 0.76 CYP19A1 (0.58) CYP19A1CA12CA2CA3CA6
SCHEMBL6797228 0.76 ESR1 (0.61) CYP19A1CA12CA2CA3CA6
SCHEMBL3611701 0.75 NSD2 (0.54) NSD2NSD3TRPM8MEN1USP2
SCHEMBL6800779 0.74 MEN1 (0.55) CYP19A1NSD2NSD3MEN1USP2
SCHEMBL6801305 0.74 CYP19A1 (0.55) CYP19A1CA12CA2CA3CA6
SCHEMBL150285 0.72 CYP2C19 (0.58) MEN1KMT2AALDH1A1CNR2KDM1A
SCHEMBL6802968 0.71 CYP19A1 (0.56) CYP19A1CA12CA2CA3CA6
SCHEMBL28677901 0.71 LOXL2 (0.46) NSD2NSD3TRPM8ALDH1A1RECQL

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