SCHEMBL4540140

SCHEMBL4540140

COC(=O)c1cccn1-c1ncc(C(F)(F)F)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
NPSR1 Q6W5P4 2/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.48
PPARG P37231 1/20 0.48
KMT2A Q03164 1/20 0.48
NR2E3 Q9Y5X4 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.39
AGBL2 Q5U5Z8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4540292 0.88 MAPT (0.64) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4539528 0.86 MAPT (0.50) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4541245 0.77 SMN1; SMN2 (0.59) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4542880 0.75 CYP2C9 (0.58) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4542879 0.74 MAPT (0.65) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4540145 0.74 CYP1A2 (0.49) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4540242 0.73 MAPT (0.62) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4539654 0.72 MAPT (0.66) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4540543 0.72 MAPT (0.66) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4541733 0.72 CFTR (0.43) 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