SCHEMBL4667162

SCHEMBL4667162

N#Cc1ccc(-c2ccc(O)cc2)c(C#N)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.59
MMP3 P08254 1/20 0.59
STS P08842 1/20 0.55
CA12 O43570 1/20 0.54
CA2 P00918 1/20 0.54
CA3 P07451 1/20 0.54
CA6 P23280 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
CYP19A1 P11511 2/20 0.49
ESR1 P03372 6/20 0.44
AR P10275 2/20 0.44
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
ESRRB O95718 1/20 0.41
ESRRA P11474 1/20 0.41

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
SCHEMBL18406709 0.81 STS (0.55) STSARKDM1AMAOA
SCHEMBL5633361 0.81 STS (0.54) ESR2STSCYP19A1MAOA
SCHEMBL15420921 0.80 ESR2 (0.58) ESR2MMP3CYP19A1ESR1AR
SCHEMBL28165919 0.80 MMP3 (0.57) ESR2MMP3CA12CA2CA3
SCHEMBL18664451 0.80 MMP3 (0.57) ESR2MMP3CA12CA2CA3
SCHEMBL2786090 0.80 MMP3 (0.57) ESR2MMP3CA12CA2CA3
SCHEMBL25418472 0.80 STS (0.50) STSCA12CA2CA3CA6
SCHEMBL2751685 0.79 STS (0.53) ESR2MMP3STSCYP19A1KDM1A
SCHEMBL6068004 0.77 MMP3 (0.63) ESR2MMP3CA12CA2CA3
SCHEMBL9955106 0.76 MMP3 (0.57) ESR2MMP3CA12CA2CA3

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
EP-1193250-B1 PHENYL SULFAMATE DERIVATIVES TEIKOKU HORMONE MFG CO LTD (JP) 2008-06-04 EP disclosed
US-6762205-B1 STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION TEIKOKU HORMONE MFG. CO., LTD. (JP) 2004-07-13 US disclosed
EP-1193250-A1 PHENYL SULFAMATE DERIVATIVES Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-04-03 EP disclosed