SCHEMBL4540192

SCHEMBL4540192

O=C(O)c1cc(Br)cn1-c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
NPSR1 Q6W5P4 3/20 0.53
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HPGD P15428 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
HTT P42858 2/20 0.45
RECQL P46063 1/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 1/20 0.44
PPARG P37231 1/20 0.44
NR2E3 Q9Y5X4 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
SCHEMBL4538521 0.83 MAPT (0.35) MAPTNPSR1MEN1KMT2AL3MBTL1
SCHEMBL4542974 0.80 NPC1 (0.52) MAPTNPSR1MEN1KMT2AL3MBTL1
SCHEMBL4540543 0.79 MAPT (0.66) MAPTNPSR1MEN1KMT2AL3MBTL1
SCHEMBL4538104 0.75 MAPT (0.51) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL4540710 0.74 MAPT (0.54) MAPTNPSR1MEN1KMT2AL3MBTL1
SCHEMBL4542232 0.74 MEN1 (0.52) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL951639 0.74 MALT1 (0.38) SMN1; SMN2CYP2C9LMNA
SCHEMBL4538115 0.73 NPC1 (0.48) MAPTNPSR1MEN1KMT2AL3MBTL1
SCHEMBL10700256 0.72 ALDH1A1 (0.50) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL5858296 0.72 ALDH1A1 (0.52) MAPTNPSR1MEN1KMT2AALDH1A1

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