SCHEMBL27543741

SCHEMBL27543741

NC(=S)Cc1cccc(C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.58
ANPEP P15144 1/20 0.51
ENPEP Q07075 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HIF1A Q16665 1/20 0.47
RAB9A P51151 1/20 0.47
MEP1B Q16820 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4234448 0.85 FOLH1 (0.61) FOLH1ANPEPENPEPMRGPRX4CYP2D6
SCHEMBL2343667 0.82 FOLH1 (0.58) FOLH1ANPEPENPEPMRGPRX4CYP2D6
SCHEMBL2707508 0.81 FOLH1 (0.66) FOLH1ANPEPENPEPCYP2D6CYP2C9
SCHEMBL29382329 0.81 FOLH1 (0.66) FOLH1ANPEPENPEPCYP2D6CYP2C9
SCHEMBL40857 0.80 LOXL2 (0.67) FOLH1MRGPRX4HIF1ARAB9AKMT2A
SCHEMBL27972778 0.80 LOXL2 (0.46) FOLH1KMT2A
SCHEMBL18095084 0.79 FOLH1 (0.63) FOLH1ANPEPENPEPCYP2D6CYP2C9
SCHEMBL7189829 0.78 FOLH1 (0.61) FOLH1ANPEPENPEPMRGPRX4CYP2D6
SCHEMBL13381194 0.78 SRD5A2 (0.62) FOLH1ANPEPENPEPCYP2D6CYP2C9
SCHEMBL9016835 0.78 FOLH1 (0.61) FOLH1ANPEPENPEPMRGPRX4CYP2D6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679404-A piperidine-amide derivatives HOFFMANN LA ROCHE 2010-03-24 CN disclosed
CN-1268626-C Dihydro-benzo(b)(1,4)diazepin-2-one derivatives as mglur2 antagonists I HOFFMANN LA ROCHE (CH) 2006-08-09 CN disclosed
CN-1264825-C Dihydro-benzo [ b ] [1,4] diazepin * -2-one derivatives as mGluR2 antagonists II HOFFMANN LA ROCHE (CH) 2006-07-19 CN disclosed
CN-1535266-A Dihydro-benzo [b][1,4] diazepin-2-one derivatives as mglur 2 antagonists II - 2004-10-06 CN disclosed
CN-1522252-A Dihydro-benzo(b)(1,4)diazepin-2-one derivatives as mglur2 antagonists I - 2004-08-18 CN disclosed