SCHEMBL4540710

SCHEMBL4540710

O=C(O)c1nccn1-c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
CYP1A2 P05177 3/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP3A4 P08684 2/20 0.54
GAA P10253 1/20 0.54
CYP2D6 P10635 1/20 0.54
CCR6 P51684 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
PPARG P37231 1/20 0.47
NR2E3 Q9Y5X4 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 2/20 0.46

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
SCHEMBL4544142 0.81 MAPT (0.57) MAPTNPC1RAB9ACYP1A2CYP2C9
SCHEMBL4540543 0.78 MAPT (0.66) MAPTNPC1RAB9ACYP1A2CYP2C9
SCHEMBL4542974 0.76 NPC1 (0.52) MAPTNPC1RAB9ACYP1A2CYP2C9
SCHEMBL4540192 0.74 MAPT (0.53) MAPTNPC1RAB9ACYP1A2CYP2C9
SCHEMBL10457648 0.74 ALDH1A1 (0.56) MAPTNPC1RAB9ACYP1A2CYP2C9
SCHEMBL6840214 0.73 MAPT (0.49) MAPTNPC1RAB9ACYP1A2CYP2C9
SCHEMBL4538115 0.73 NPC1 (0.48) MAPTNPC1RAB9ACYP2C9CYP2C19
SCHEMBL4539654 0.73 MAPT (0.66) MAPTNPC1RAB9ACYP1A2CYP2C9
SCHEMBL10701517 0.72 ALDH1A1 (0.51) MAPTNPC1RAB9ACYP1A2CYP2C9
SCHEMBL4542879 0.72 MAPT (0.65) MAPTNPC1RAB9ACYP1A2CYP2C9

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