SCHEMBL9218692

SCHEMBL9218692

O=C(O)C1CSc2ccc(Br)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.36
SRD5A2 P31213 1/20 0.36
EDNRB P24530 2/20 0.36
EDNRA P25101 2/20 0.36
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B3 P37058 2/20 0.32
PNMT P11086 4/20 0.32
PPARG P37231 1/20 0.32
ATM Q13315 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NCOR2 Q9Y618 1/20 0.32

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
SCHEMBL9220554 0.81 MALT1 (0.45) HSD17B3MALT1SMN1; SMN2
SCHEMBL9213535 0.78 RYR2 (0.49) SMN1; SMN2
SCHEMBL9218695 0.78 PTPN1 (0.40) SRD5A1SRD5A2EDNRBEDNRAPTPN2
SCHEMBL6404425 0.77 RYR2 (0.41) TDP1SMN1; SMN2
SCHEMBL31537554 0.76 PNMT (0.44) SRD5A1SRD5A2EDNRBEDNRAPNMT
SCHEMBL1016657 0.76 PNMT (0.44) SRD5A1SRD5A2EDNRBEDNRAPNMT
SCHEMBL3089985 0.76 PNMT (0.44) SRD5A1SRD5A2EDNRBEDNRAPNMT
SCHEMBL26814042 0.76 PNMT (0.44) SRD5A1SRD5A2EDNRBEDNRAPNMT
SCHEMBL12060932 0.74 NPC1 (0.39) SRD5A1SRD5A2EDNRBEDNRAPTPN2
SCHEMBL9217505 0.70 PNMT (0.33) PNMTADRA2AADRA2BADRA2C

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-0389425-B1 Benzotiopyranyl amines CIBA GEIGY AG (CH) 1995-04-26 EP disclosed
US-5071858-A Antipsychotic benzothiopyranylamines CIBA-GEIGY CORPORATION (US) 1991-12-10 US disclosed
EP-0389425-A1 Benzotiopyranyl amines CIBA-GEIGY AG (CH) 1990-09-26 EP disclosed