SCHEMBL6796502

SCHEMBL6796502

Oc1ccc(CNn2cnnc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.53
POLB P06746 3/20 0.47
ALDH1A1 P00352 7/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
HIF1A Q16665 1/20 0.47
GAA P10253 4/20 0.45
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
GFER P55789 1/20 0.44
CYP19A1 P11511 1/20 0.40
ESR1 P03372 3/20 0.39
ESR2 Q92731 2/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
THRB P10828 2/20 0.39
HPGD P15428 2/20 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
SCHEMBL14549033 0.68 CYP19A1 (0.49) POLBALDH1A1CYP1A2CYP3A4CYP19A1
SCHEMBL6277988 0.68 CA2 (0.61) CYP2C19POLBALDH1A1CYP3A4HIF1A
SCHEMBL17065246 0.66 THRB (0.59) CYP2C19POLBALDH1A1CYP3A4HIF1A
SCHEMBL14304332 0.64 AGER (0.52) CYP2C19POLBALDH1A1CYP3A4HIF1A
Hydrochloric Acid SCHEMBL17065240 0.64 THRB (0.56) CYP2C19POLBALDH1A1CYP3A4HIF1A
SCHEMBL23829546 0.64 ESR1 (0.50) CYP2C19POLBALDH1A1CYP3A4HIF1A
SCHEMBL11592004 0.64 MEN1 (0.56) POLBALDH1A1GAAKDM4EL3MBTL1
SCHEMBL275161 0.64 TMEM97 (0.60) POLBALDH1A1CYP3A4CYP2C9HIF1A
SCHEMBL13693048 0.64 IDO1 (0.56) CYP2C19POLBALDH1A1CYP1A2CYP3A4
SCHEMBL28849307 0.64 ESR1 (0.50) CYP2C19POLBALDH1A1CYP3A4HIF1A

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