SCHEMBL4542539

SCHEMBL4542539

O=C(NNc1ccc(OC(F)(F)F)cc1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
NPSR1 Q6W5P4 3/20 0.64
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
PPARG P37231 1/20 0.56
NR2E3 Q9Y5X4 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
ALDH1A1 P00352 6/20 0.47
GAA P10253 2/20 0.45
RECQL P46063 1/20 0.45
PKM P14618 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL4536754 0.91 MAPT (0.64) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4542542 0.91 MAPT (0.64) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4541105 0.91 MAPT (0.51) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4543964 0.90 MAPT (0.70) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4543854 0.90 MAPT (0.62) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4543417 0.90 MAPT (0.62) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4542710 0.90 MAPT (0.62) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4543852 0.89 MAPT (0.69) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4541871 0.89 MAPT (0.61) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4540727 0.89 CYP2C9 (0.60) MAPTNPSR1CYP1A2CYP3A4CYP2C9

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