SCHEMBL6565202

SCHEMBL6565202

CC(C)Cc1ccc([C@@H](C)c2nc(-c3ccc(-c4ccccc4)cc3)c[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.42
ALOX5AP P20292 11/20 0.41
XDH P47989 1/20 0.40
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
LMNA P02545 1/20 0.36
ALB P02768 1/20 0.36
ESR1 P03372 1/20 0.36
ALOX5 P09917 1/20 0.36
RARB P10826 1/20 0.36
CYP2C9 P11712 1/20 0.36
ADRB3 P13945 1/20 0.36
NFKB1 P19838 1/20 0.36
PTGS1 P23219 1/20 0.36
HTR2A P28223 1/20 0.36
PTGS2 P35354 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
SCHEMBL4819873 1.00 DHODH (0.42) DHODHALOX5APXDHS1PR1S1PR3
SCHEMBL4814638 0.87 ALOX5AP (0.44) DHODHALOX5APXDHS1PR1S1PR3
SCHEMBL4822860 0.86 ALDH1A1 (0.36) XDHADORA3ADORA2AADORA2BADORA1
SCHEMBL4817896 0.79 DHODH (0.43) DHODHXDHS1PR1ADORA3ADORA2A
SCHEMBL4822648 0.76 MAOA (0.41) ADORA3ADORA2AADORA2BADORA1
SCHEMBL27835324 0.75 DHODH (0.44) DHODHALOX5APXDHS1PR1ADORA3
SCHEMBL1335887 0.73 TAAR1 (0.50) ADORA2AADORA1LMNAALBESR1
SCHEMBL1696579 0.72 ADORA1 (0.47) ADORA3ADORA2AADORA2BADORA1LMNA
SCHEMBL13527494 0.72 DHODH (0.56) DHODHXDHADORA3ADORA2AADORA2B
SCHEMBL14732767 0.71 ADORA1 (0.51) DHODHADORA3ADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401432-A2 IMIDAZOLE DERIVATIVES FOR MODULATING SODIUM CHANNELS Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2004-03-31 EP disclosed
WO-2002102375-A2 IMIDAZOLE DERIVATIVES FOR MODULATING SODIUM CHANNELS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUE (S.C.R.A.S.) (FR) 2002-12-27 WO disclosed