SCHEMBL9709042

SCHEMBL9709042

NC(=O)C(Cc1ccccc1)C1NCCS1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
EPHX1 P07099 1/20 0.42
FAAH O00519 1/20 0.39
ALPI P09923 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
XIAP P98170 1/20 0.38
SLC7A5 Q01650 1/20 0.38
CPA1 P15085 3/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CPB1 P15086 1/20 0.36
CPA3 P15088 1/20 0.36
CPB2 Q96IY4 1/20 0.36
TRPA1 O75762 1/20 0.36
SRR Q9GZT4 1/20 0.36

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
SCHEMBL20833268 0.78 CYP1A2 (0.45) CYP1A2FAAHCPA1CPB1CPA3
SCHEMBL9640676 0.78 CYP1A2 (0.45) CYP1A2FAAHCPA1CPB1CPA3
SCHEMBL9640267 0.78 CYP1A2 (0.45) CYP1A2FAAHCPA1CPB1CPA3
SCHEMBL9709146 0.74 HDAC2 (0.40) CYP1A2ALDH1A1
SCHEMBL27832973 0.72 CPN1 (0.45) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL4180733 0.72 EPHX1 (0.51) CYP1A2EPHX1ALPIPKMPTGS1
SCHEMBL10411479 0.72 ALPI (0.49) CYP1A2FAAHALPIPKMPTGS1
SCHEMBL10411481 0.72 ALPI (0.49) CYP1A2FAAHALPIPKMPTGS1
SCHEMBL9640670 0.71 CYP1A2 (0.39) CYP1A2FAAH
SCHEMBL4156781 0.70 EPHX1 (0.43) EPHX1ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992020665-A1 THIAZOLIDINE DERIVATIVES AND THEIR USE IN THERAPY GLAXO GROUP LIMITED (GB) 1992-11-26 WO disclosed