SCHEMBL4539248

SCHEMBL4539248

O=C(COc1ccc(OC(F)(F)F)cc1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
NPSR1 Q6W5P4 2/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
PPARG P37231 1/20 0.54
NR2E3 Q9Y5X4 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
ALDH1A1 P00352 5/20 0.49
PKM P14618 2/20 0.46
LMNA P02545 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CCR6 P51684 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
SCHEMBL4542177 0.87 MAPT (0.58) MAPTNPSR1MEN1KMT2APPARG
SCHEMBL4544004 0.83 MEN1 (0.67) MAPTNPSR1MEN1KMT2APPARG
SCHEMBL4542539 0.82 MAPT (0.64) MAPTNPSR1MEN1KMT2APPARG
SCHEMBL4539360 0.81 MAPT (0.64) MAPTNPSR1MEN1KMT2APPARG
SCHEMBL4540711 0.81 MAPT (0.57) MAPTNPSR1MEN1KMT2APPARG
SCHEMBL4537558 0.80 MAPT (0.56) MAPTNPSR1MEN1KMT2APPARG
SCHEMBL4540292 0.79 MAPT (0.64) MAPTNPSR1MEN1KMT2APPARG
SCHEMBL4540727 0.79 CYP2C9 (0.60) MAPTNPSR1MEN1KMT2APPARG
SCHEMBL4540543 0.79 MAPT (0.66) MAPTNPSR1MEN1KMT2APPARG
SCHEMBL4539654 0.79 MAPT (0.66) MAPTNPSR1MEN1KMT2APPARG

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