SCHEMBL9709176

SCHEMBL9709176

O=C(Cc1ccccc1)NC(C(=O)NCCc1ccccc1)C1NCCS1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
BRS3 P32247 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
POLB P06746 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
EPHX2 P34913 3/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 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
SCHEMBL9604373 0.90 NPY1R (0.42) CNR2CYP1A2GAACA1CA2
SCHEMBL9709146 0.77 HDAC2 (0.40) CNR2CYP1A2CYP2C19HPGDALDH1A1
SCHEMBL4153733 0.69 HPGD (0.79) HPGDGAACA1CA2CA5A
SCHEMBL21560529 0.66 CHRNA1 (0.73) BRS3KMT2AMMP2
SCHEMBL21560530 0.66 CHRNA1 (0.73) BRS3KMT2AMMP2
SCHEMBL9709042 0.65 CYP1A2 (0.46) CYP1A2POLBALDH1A1
SCHEMBL10635162 0.64 POLB (0.61) CYP2D6CYP2C9CYP2C19CA1CA2
SCHEMBL9192833 0.64 POLB (0.61) CYP2D6CYP2C9CYP2C19CA1CA2
SCHEMBL9640676 0.64 CYP1A2 (0.45) CYP1A2
SCHEMBL9640267 0.64 CYP1A2 (0.45) CYP1A2

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 claimed