SCHEMBL9341007

SCHEMBL9341007

CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C=CC(=O)Nc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.74
ALOX15 P16050 7/20 0.70
KDM4E B2RXH2 1/20 0.70
MEN1 O00255 1/20 0.70
ALDH1A1 P00352 1/20 0.70
CYP3A4 P08684 1/20 0.70
MAPT P10636 1/20 0.70
HPGD P15428 1/20 0.70
TSHR P16473 1/20 0.70
ALOX12 P18054 1/20 0.70
KMT2A Q03164 1/20 0.70
HSD17B10 Q99714 1/20 0.70
CYSLTR1 Q9Y271 1/20 0.51

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
SCHEMBL9341421 1.00 GPR17 (0.74) GPR17ALOX15KDM4EMEN1ALDH1A1
SCHEMBL8345217 0.92 GPR17 (0.62) GPR17ALOX15KDM4EMEN1ALDH1A1
SCHEMBL9397608 0.91 GPR17 (0.61) GPR17ALOX15KDM4EMEN1ALDH1A1
SCHEMBL9397604 0.91 GPR17 (0.61) GPR17ALOX15KDM4EMEN1ALDH1A1
SCHEMBL8344673 0.88 GPR17 (0.58) GPR17ALOX15KDM4EMEN1ALDH1A1
SCHEMBL9397491 0.88 GPR17 (0.56) GPR17ALOX15KDM4EMEN1ALDH1A1
SCHEMBL9397498 0.88 GPR17 (0.56) GPR17ALOX15KDM4EMEN1ALDH1A1
SCHEMBL9395874 0.87 GPR17 (0.56) GPR17ALOX15KDM4EMEN1ALDH1A1
Gavestinel SCHEMBL1721070 0.85 GPR17 (1.00) GPR17ALOX15KDM4EMEN1ALDH1A1
Gavestinel SCHEMBL30184856 0.85 GPR17 (1.00) GPR17ALOX15KDM4EMEN1ALDH1A1

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-6049027-A None JP disclosed
US-5374648-A Nervous system disorders GLAXO S.P.A. (IT) 1994-12-20 US disclosed
US-5373018-A Antagonist to excitory amino acids on N-methyl aspartic acid receptor complex, theraputically effective in treatment of central nervous system disorder GLAXO S.P.A. (IT) 1994-12-13 US disclosed
JP-H0649027-A INDOLE DERIVATIVE GLAXO SPA 1994-02-22 JP disclosed
EP-0568136-A1 Indole-2-carboxylic acid derivatives GLAXO S.p.A. (IT) 1993-11-03 EP disclosed