SCHEMBL4372801

SCHEMBL4372801

O=C(Cl)c1cnc(Oc2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.52
LMNA P02545 1/20 0.46
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
LIPE Q05469 4/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MAOB P27338 2/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL4371434 0.86 SRD5A2 (0.49) GRM4LMNARAB9AMEN1NPC1
SCHEMBL4371705 0.85 MAOB (0.54) GRM4LMNARAB9AMEN1NPC1
SCHEMBL4374065 0.76 THRB (0.47) LMNARAB9AMAPTMAOB
SCHEMBL11097560 0.72 MEN1 (0.45) LMNARAB9AMEN1NPC1ALDH1A1
SCHEMBL68177 0.72 CES2 (0.67) MEN1HPGDKMT2AKCNQ3KCNQ2
SCHEMBL4370646 0.72 KIF11 (0.47) GRM4MAPTMAOB
SCHEMBL4371648 0.72 MAOB (0.54) LMNAALDH1A1MAPTMAOB
SCHEMBL7090499 0.72 LMNA (0.65) LMNARAB9ANPC1MAPTLIPE
SCHEMBL21628911 0.71 LMNA (0.64) LMNARAB9AMAPTLIPEMAOB
SCHEMBL21628386 0.71 LMNA (0.63) LMNAALDH1A1HPGDLIPE

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-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed