SCHEMBL6799481

SCHEMBL6799481

N#Cc1ccc(N(Cc2ccc(OCc3ccccc3)cc2)c2cccnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.56
GRM2 Q14416 3/20 0.48
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 2/20 0.44
PRKDC P78527 1/20 0.43
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43
CYP19A1 P11511 1/20 0.43
AR P10275 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GHSR Q92847 1/20 0.42

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
SCHEMBL6799976 0.83 CYP19A1 (0.50) CYP11B1CYP11B2CYP19A1
SCHEMBL27545671 0.81 CYP11B2 (0.42) KDM4EALDH1A1HPGDCYP11B1CYP11B2
SCHEMBL9226442 0.81 CYP11B2 (0.42) KDM4EALDH1A1HPGDCYP11B1CYP11B2
SCHEMBL6806249 0.81 CYP19A1 (0.57) CYP19A1
SCHEMBL11873311 0.79 PTGS1 (0.56) MAOBGAAMAPTRAB9A
SCHEMBL11873315 0.79 ALOX5 (0.56) MAOBGAAMAPTRAB9A
SCHEMBL18590701 0.78 GAA (0.53) GRM2MAPK1GAAMAPTKMT2A
SCHEMBL8324221 0.77 AR (0.45) MAOBALDH1A1CYP11B1CYP11B2CYP19A1
SCHEMBL6794125 0.76 MAOB (0.68) MAOBCYP11B1CYP11B2ARRAB9A
SCHEMBL9446200 0.75 ALOX5 (0.54) MAOBGAAMAPTMEN1KMT2A

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