SCHEMBL22360002

SCHEMBL22360002

CCOC(=O)c1cccc(Cc2ncc[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
TAAR1 Q96RJ0 3/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HTR1A P08908 1/20 0.48
MEP1B Q16820 1/20 0.47
JMJD6 Q6NYC1 1/20 0.46
CA2 P00918 1/20 0.45
NAMPT P43490 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL9853966 0.82 TAAR1 (0.61) TAAR1RAB9ASMN1; SMN2HTR1ACA2
SCHEMBL11487887 0.80 TAAR1 (0.48) CYP4F2CYP4A11TAAR1ALDH1A1MAPT
SCHEMBL10948045 0.79 PPARA (0.57) TAAR1ALDH1A1MAPTHTR1AHPGD
SCHEMBL4081419 0.79 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL11475112 0.78 ALOX5 (0.51) CYP4F2CYP4A11TAAR1SMN1; SMN2MAPT
SCHEMBL11479935 0.77 TTR (0.47) TAAR1SMN1; SMN2ALDH1A1MAPTHTR1A
SCHEMBL129801 0.77 CYP4F2 (0.71) CYP4F2CYP4A11NPC1RAB9ASMN1; SMN2
SCHEMBL31414967 0.77 TAAR1 (0.75) TAAR1SMN1; SMN2ALDH1A1MAPTHTR1A
SCHEMBL9302971 0.77 MAPT (0.60) CYP4F2CYP4A11NPC1RAB9ASMN1; SMN2
SCHEMBL10858172 0.76 HCRTR1 (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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
WO-2020167952-A1 MAT2A INHIBITORS Mirati Therapeutics, Inc. (US) 2020-08-20 WO disclosed