SCHEMBL9495162

SCHEMBL9495162

CCOCC(=O)Nc1cc(C#N)cc(NC(=O)COCC)c1Cl

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.63
ALDH1A1 P00352 6/20 0.52
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.47
KDM4E B2RXH2 4/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 2/20 0.45
CETP P11597 1/20 0.44
RAB9A P51151 1/20 0.44
TRPM4 Q8TD43 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
CYP3A4 P08684 1/20 0.42

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
SCHEMBL9495180 0.85 GPR35 (0.58) GPR35ALDH1A1HPGDCYP2C19TRPM4
SCHEMBL9495446 0.83 GPR35 (0.60) GPR35ALDH1A1MAPTHPGDPOLB
Acreozast SCHEMBL6454819 0.83 GPR35 (0.59) GPR35ALDH1A1HPGDHSD17B10TRPM4
SCHEMBL10339385 0.81 GPR35 (0.53) GPR35ALDH1A1MAPTHPGDPOLB
SCHEMBL10335283 0.79 GPR35 (0.54) GPR35ALDH1A1HPGDHSD17B10TSHR
SCHEMBL6439833 0.79 GPR35 (0.63) GPR35ALDH1A1MAPTKDM4EPOLB
Lodoxamide Ethyl SCHEMBL667976 0.77 GPR35 (1.00) GPR35ALDH1A1MAPTRAB9AKMT2A
SCHEMBL9234299 0.77 GPR35 (0.49) GPR35ALDH1A1MAPTHPGDTRPM4
SCHEMBL9024019 0.75 GPR35 (0.50) GPR35ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL6002909 0.71 HPGD (0.69) ALDH1A1MAPTHPGDKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315112-B1 NOVEL AMIDE COMPOUNDS Toyo Boseki Kabushiki Kaisha (JP) 1993-03-17 EP disclosed
US-4912135-A Benzene ring with amido substitutions in position 1 and 3 TOYO BOSEKI KABUSHIKI KAISHA (JP) 1990-03-27 US disclosed
EP-0315112-A2 Novel amide compounds Toyo Boseki Kabushiki Kaisha (JP) 1989-05-10 EP disclosed