SCHEMBL6684426

SCHEMBL6684426

O=C(C=Cc1ccc(Cl)cc1)c1cn(-c2ccc(F)cc2)nc1-c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 6/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAOB P27338 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CDK2 P24941 2/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL6689377 1.00 MAPT (0.50) MAPTMAPK1SMN1; SMN2ALDH1A1HTT
SCHEMBL6683009 0.96 MAPK1 (0.52) MAPTMAPK1SMN1; SMN2ALDH1A1HTT
SCHEMBL6678045 0.95 MAPT (0.55) MAPTMAPK1SMN1; SMN2ALDH1A1HTT
SCHEMBL6687978 0.90 MAPT (0.47) MAPTMAPK1SMN1; SMN2ALDH1A1HTT
SCHEMBL6691771 0.90 MAPT (0.47) MAPTMAPK1SMN1; SMN2ALDH1A1HTT
SCHEMBL6678023 0.90 MAPT (0.47) MAPTMAPK1SMN1; SMN2ALDH1A1HTT
SCHEMBL6678974 0.90 MAPT (0.47) MAPTMAPK1SMN1; SMN2ALDH1A1HTT
SCHEMBL6686093 0.89 MAPK1 (0.52) MAPTMAPK1SMN1; SMN2ALDH1A1HTT
SCHEMBL6691516 0.88 MAPK1 (0.53) MAPTMAPK1SMN1; SMN2ALDH1A1HTT
SCHEMBL6692627 0.87 MAPK1 (0.48) MAPTMAPK1SMN1; SMN2ALDH1A1HTT

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-2004043951-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS CAREX S.A. (FR) 2004-05-27 WO claimed
WO-2004043951-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS CAREX S.A. (FR) 2004-05-27 WO disclosed