SCHEMBL9024019

SCHEMBL9024019

CC(=O)OCC(=O)Nc1cc(C#N)cc(N)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.50
USP2 O75604 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.46
CHEK1 O14757 1/20 0.42
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TRPM4 Q8TD43 1/20 0.39
PKM P14618 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PPARG P37231 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NCOR2 Q9Y618 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
Acreozast SCHEMBL6454819 0.91 GPR35 (0.59) GPR35USP2HPGDSMN1; SMN2CHEK1
SCHEMBL9234299 0.87 GPR35 (0.49) GPR35HPGDSMN1; SMN2ALDH1A1TRPM4
SCHEMBL10335283 0.86 GPR35 (0.54) GPR35USP2HPGDSMN1; SMN2CHEK1
SCHEMBL9234654 0.81 GPR35 (0.51) GPR35ALDH1A1TRPM4KDM4E
SCHEMBL9495446 0.78 GPR35 (0.60) GPR35USP2HPGDALDH1A1TRPM4
SCHEMBL9495180 0.77 GPR35 (0.58) GPR35HPGDSMN1; SMN2ALDH1A1TRPM4
SCHEMBL9495162 0.75 GPR35 (0.63) GPR35HPGDALDH1A1HSD17B10TRPM4
SCHEMBL28582660 0.74 GPR35 (0.79) GPR35ALDH1A1KDM4E
SCHEMBL10339385 0.73 GPR35 (0.53) GPR35USP2HPGDSMN1; SMN2ALDH1A1
SCHEMBL15413580 0.72 GPR35 (0.45) GPR35USP2HPGDSMN1; SMN2CHEK1

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
JP-2311450-A None JP disclosed
JP-8003036-A None JP disclosed
JP-H083036-A SUPPRESSANT AND ANTIINFLAMMATORY AGENT FOR ACIDOCYTE INFILTRATION TOYOBO CO LTD 1996-01-09 JP disclosed
EP-0687468-A2 Pharmaceutical composition for suppressing infiltration of eosinophils Toyo Boseki Kabushiki Kaisha (JP) 1995-12-20 EP disclosed
JP-H02311450-A NOVEL BENZONITRILE DERIVATIVE TOYOBO CO LTD 1990-12-27 JP disclosed