SCHEMBL4543291

SCHEMBL4543291

COc1cnc(-n2cccc2C(=O)NNc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
NPSR1 Q6W5P4 2/20 0.57
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PPARG P37231 1/20 0.54
NR2E3 Q9Y5X4 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
GAA P10253 5/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 6/20 0.47
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PKM P14618 1/20 0.44
HTT P42858 2/20 0.42

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
SCHEMBL4542470 0.92 MAPT (0.66) MAPTNPSR1CYP2C9CYP2C19CYP1A2
SCHEMBL4542946 0.88 MAPT (0.62) MAPTNPSR1CYP2C9CYP2C19CYP1A2
SCHEMBL4542315 0.88 SMN1; SMN2 (0.56) MAPTNPSR1CYP2C9CYP2C19CYP1A2
SCHEMBL4540636 0.88 MAPT (0.62) MAPTNPSR1CYP2C9CYP2C19CYP1A2
SCHEMBL4542958 0.88 MAPT (0.61) MAPTNPSR1CYP2C9CYP2C19CYP1A2
SCHEMBL4541211 0.88 MAPT (0.61) MAPTNPSR1CYP2C9CYP2C19CYP1A2
SCHEMBL4542542 0.87 MAPT (0.64) MAPTNPSR1CYP2C9CYP2C19CYP1A2
SCHEMBL4542264 0.87 SMN1; SMN2 (0.58) MAPTNPSR1CYP2C9CYP2C19CYP1A2
SCHEMBL4540242 0.87 MAPT (0.62) MAPTNPSR1CYP2C9CYP2C19CYP1A2
SCHEMBL4541245 0.87 SMN1; SMN2 (0.59) 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