SCHEMBL4539433

SCHEMBL4539433

COc1ccc(Oc2ccc(NNC(=O)c3cccn3-c3ncc(C(F)(F)F)cc3Cl)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
NPSR1 Q6W5P4 1/20 0.61
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP1A2 P05177 1/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 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 2/20 0.46
ALDH1A1 P00352 3/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PKM P14618 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
SCHEMBL4542542 0.97 MAPT (0.64) MAPTNPSR1CYP2C9CYP2C19CYP3A4
SCHEMBL4536754 0.94 MAPT (0.64) MAPTNPSR1CYP2C9CYP2C19CYP3A4
SCHEMBL13707611 0.93 MAPT (0.61) MAPTNPSR1CYP2C9CYP2C19CYP3A4
SCHEMBL4543854 0.93 MAPT (0.62) MAPTNPSR1CYP2C9CYP2C19CYP3A4
SCHEMBL4543417 0.93 MAPT (0.62) MAPTNPSR1CYP2C9CYP2C19CYP3A4
SCHEMBL4543666 0.92 CYP1A2 (0.62) MAPTNPSR1CYP2C9CYP2C19CYP3A4
SCHEMBL13707747 0.90 MAPT (0.57) MAPTNPSR1CYP2C9CYP2C19CYP3A4
SCHEMBL4539740 0.89 MAPT (0.58) MAPTNPSR1CYP2C9CYP2C19CYP3A4
SCHEMBL4542017 0.89 CYP1A2 (0.59) MAPTNPSR1CYP2C9CYP2C19CYP3A4
SCHEMBL4540752 0.89 MAPT (0.59) MAPTNPSR1CYP2C9CYP2C19CYP3A4

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