SCHEMBL4544142

SCHEMBL4544142

O=C(NNc1ncc(C(F)(F)F)cc1Cl)c1nccn1-c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
NPSR1 Q6W5P4 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 9/20 0.57
GAA P10253 7/20 0.57
KDM4E B2RXH2 3/20 0.53
POLB P06746 2/20 0.53
PPARG P37231 1/20 0.48
NR2E3 Q9Y5X4 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP2D6 P10635 1/20 0.48
CCR6 P51684 1/20 0.48

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 0.84 MAPT (0.66) MAPTSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL4540710 0.81 MAPT (0.54) MAPTSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL4542958 0.81 MAPT (0.61) MAPTSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL4541211 0.81 MAPT (0.61) MAPTSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL4542783 0.80 MAPT (0.57) MAPTSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL13707621 0.80 SMN1; SMN2 (0.57) MAPTSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL4540636 0.79 MAPT (0.62) MAPTSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL4542946 0.79 MAPT (0.62) MAPTSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL13707620 0.79 SMN1; SMN2 (0.55) MAPTSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL4540513 0.79 SMN1; SMN2 (0.61) MAPTSMN1; SMN2NPSR1MEN1KMT2A

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