SCHEMBL31423218

SCHEMBL31423218

C=Cc1ccc(OC(F)(F)F)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
SLC6A2 P23975 1/20 0.47
SCN4A P35499 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
SLC6A3 Q01959 1/20 0.47
PDE4D Q08499 1/20 0.47

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
SCHEMBL20224935 0.82 KIF11 (0.36) NPC1RAB9AGMNNUSP2LMNA
SCHEMBL21339745 0.82 NPC1 (0.47) NPC1RAB9AGMNNUSP2LMNA
SCHEMBL2366206 0.80 PDE2A (0.44) NPC1RAB9AGMNNUSP2LMNA
SCHEMBL25996829 0.79 GPR3 (0.45) NPC1RAB9AGMNNUSP2LMNA
SCHEMBL8149240 0.79 GAA (0.43) NPC1RAB9AGMNNUSP2LMNA
SCHEMBL29546263 0.77 NR4A1 (0.56) NPC1RAB9AGMNNUSP2LMNA
SCHEMBL442684 0.77 NR4A1 (0.56) NPC1RAB9AGMNNUSP2LMNA
SCHEMBL16955162 0.76 GPR3 (0.42) NPC1RAB9AGMNNUSP2LMNA
SCHEMBL16953635 0.76 GPR3 (0.42) NPC1RAB9AGMNNUSP2LMNA
SCHEMBL16958727 0.75 GPR3 (0.45) NPC1RAB9AGMNNUSP2LMNA

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-2025085233-A1 NOVEL DERIVATIVES OF QUINOLINONES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2025-04-24 WO disclosed