SCHEMBL6802215

SCHEMBL6802215

CCN(Cc1ccc(O)cc1)c1ccc(C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.58
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA3 P07451 1/20 0.50
CA6 P23280 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ESRRG P62508 2/20 0.47
TSHR P16473 1/20 0.46
CYP2A6 P11509 1/20 0.46
MMP3 P08254 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
PDK1 Q15118 1/20 0.44

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
SCHEMBL27577464 0.84 TSHR (0.55) CYP19A1TSHRCYP2A6ALDH1A1KDM4E
SCHEMBL151082 0.84 TSHR (0.68) TSHRCYP2A6ALDH1A1KDM4EMEN1
SCHEMBL11412127 0.84 TSHR (0.68) TSHRCYP2A6ALDH1A1KDM4EMEN1
SCHEMBL6798025 0.81 CYP19A1 (0.57) CYP19A1CA12CA2CA3CA6
SCHEMBL6797228 0.80 ESR1 (0.61) CYP19A1CA12CA2CA3CA6
SCHEMBL6795389 0.79 MAOB (0.64) TSHRALDH1A1KDM4EMEN1MAPT
SCHEMBL63804 0.79 ALDH1A1 (0.52) CA12CA2CA3CA6CA9
SCHEMBL6798926 0.79 CYP19A1 (0.49) CYP19A1CA12CA2CA3CA6
SCHEMBL10702263 0.78 TSHR (0.75) ESRRGTSHRALDH1A1KDM4EMEN1
SCHEMBL4424044 0.78 TSHR (0.75) CYP19A1ESRRGTSHRALDH1A1KDM4E

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