SCHEMBL4538115

SCHEMBL4538115

O=C(O)c1ccnn1-c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 5/20 0.46
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
GLA P06280 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ATM Q13315 1/20 0.46
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.45
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PPARG P37231 1/20 0.44
NR2E3 Q9Y5X4 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
SCHEMBL4539918 0.85 MAPT (0.49) KMT2AMEN1MAPTGAASMN1; SMN2
SCHEMBL4543706 0.82 KDM4C (0.38) KMT2AMEN1L3MBTL1MAPTSMN1; SMN2
SCHEMBL4541242 0.82 SMN1; SMN2 (0.59) RAB9AKMT2AMEN1MAPTGAA
SCHEMBL5320659 0.80 KDM4E (0.38) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL4539912 0.79 KMT2A (0.50) NPC1RAB9AKMT2AL3MBTL1MAPT
SCHEMBL4543579 0.79 SMN1; SMN2 (0.55) RAB9AKMT2AMEN1MAPTGAA
SCHEMBL4540559 0.78 MEN1 (0.51) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4540543 0.77 MAPT (0.66) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL9311412 0.76 KMT2A (0.48) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL4541462 0.76 SMN1; SMN2 (0.47) NPC1RAB9AKMT2AMEN1MAPT

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 1 patent. 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