SCHEMBL96528

SCHEMBL96528

[CH2]c1ccc(C(=O)N(CC)Cc2ccccc2OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.54
LPAR5 Q9H1C0 4/20 0.54
TSPO P30536 1/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
TACR1 P25103 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
BLM P54132 1/20 0.47
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 2/20 0.46
TAS2R14 Q9NYV8 2/20 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
SCHEMBL2974690 0.84 MEN1 (0.66) MEN1KMT2ATACR1ALDH1A1HPGD
SCHEMBL6247380 0.78 LPAR1 (0.56) LPAR1LPAR5MEN1KMT2ACYP1A2
SCHEMBL17276760 0.77 TSPO (0.59) TSPOMEN1KMT2ACYP1A2CYP3A4
SCHEMBL6248102 0.76 ALDH1A1 (0.58) LPAR1LPAR5MEN1KMT2ACYP1A2
SCHEMBL5543735 0.76 HPGD (0.61) MEN1KMT2ACYP1A2HSP90AA1HSP90AB1
SCHEMBL11329375 0.74 ACHE (0.55) TSPOMEN1KMT2ACYP1A2CYP3A4
SCHEMBL94839 0.72 TSHR (0.48) LPAR1LPAR5MEN1KMT2AOPRM1
SCHEMBL6247420 0.72 HPGD (0.62) LPAR1LPAR5TSPOMEN1KMT2A
SCHEMBL94368 0.71 HDAC1 (0.77) ALDH1A1KDM4EHPGDMAPT
SCHEMBL10013764 0.71 CYP1A2 (0.78) TSPOMEN1KMT2ACYP1A2CYP3A4

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
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed