SCHEMBL4789839

SCHEMBL4789839

CC(=O)Nc1cc2oncc2cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 6/20 0.39
HPGD P15428 2/20 0.39
CSF1R P07333 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAOA P21397 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 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
SCHEMBL8404488 0.73 TRPM5 (0.33) ALDH1A1
SCHEMBL9342439 0.73 ROCK2 (0.51) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL29819513 0.73 ALDH1A1 (0.58) NPC1RAB9ALMNAALDH1A1HPGD
SCHEMBL30007774 0.72 BRD4 (0.50) NPC1RAB9AALDH1A1HTT
SCHEMBL1033711 0.72 BRD4 (0.50) NPC1RAB9AALDH1A1HTT
Hydrochloric Acid SCHEMBL29652525 0.71 GABRP (0.41) NPC1RAB9ACSF1RMAPTKDM4E
SCHEMBL29652505 0.71 NNMT (0.41) NPC1RAB9ACSF1RKMT2AMEN1
SCHEMBL24253401 0.71 HPGD (0.37) NPC1RAB9ALMNATHRBALDH1A1
SCHEMBL11016941 0.71 CSF1R (0.57) NPC1RAB9ALMNATHRBALDH1A1
SCHEMBL10306224 0.69 ALDH1A1 (0.54) NPC1RAB9ALMNAALDH1A1HPGD

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-2008154023-A1 NOVEL USES OF PPAR DELTA AGONISTS CERENIS THERAPEUTICS S.A. (FR) 2008-12-18 WO disclosed