SCHEMBL4542590

SCHEMBL4542590

N#Cc1ccc(NNC(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)cc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
NPSR1 Q6W5P4 3/20 0.60
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PPARG P37231 1/20 0.53
NR2E3 Q9Y5X4 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 2/20 0.41
AR P10275 3/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL4542463 0.93 MAPT (0.61) MAPTNPSR1CYP2C9CYP2C19CYP1A2
SCHEMBL4540252 0.88 MAPT (0.64) MAPTNPSR1CYP2C9CYP2C19CYP1A2
SCHEMBL4542800 0.86 MAPT (0.64) MAPTNPSR1CYP2C9CYP2C19CYP1A2
SCHEMBL4543964 0.85 MAPT (0.70) MAPTNPSR1CYP2C9CYP2C19CYP1A2
SCHEMBL4543852 0.84 MAPT (0.69) MAPTNPSR1CYP2C9CYP2C19CYP1A2
SCHEMBL4540149 0.84 MAPT (0.65) MAPTNPSR1CYP2C9CYP2C19CYP1A2
SCHEMBL4540612 0.84 CYP1A2 (0.68) MAPTNPSR1CYP2C9CYP2C19CYP1A2
SCHEMBL13707592 0.83 MAPT (0.67) MAPTNPSR1CYP2C9CYP2C19CYP1A2
SCHEMBL4542902 0.83 MAPT (0.65) MAPTNPSR1CYP2C9CYP2C19CYP1A2
SCHEMBL4540226 0.83 MAPT (0.64) MAPTNPSR1CYP2C9CYP2C19CYP1A2

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