SCHEMBL6691771

SCHEMBL6691771

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 5/20 0.44
HTT P42858 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP3A4 P08684 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6678974 1.00 MAPT (0.47) MAPTMAPK1ALDH1A1HTTMEN1
SCHEMBL6688949 0.96 MAPK1 (0.49) MAPTMAPK1ALDH1A1HTTMEN1
SCHEMBL6678023 0.93 MAPT (0.47) MAPTMAPK1ALDH1A1HTTMEN1
SCHEMBL6687978 0.93 MAPT (0.47) MAPTMAPK1ALDH1A1HTTMEN1
SCHEMBL6678045 0.92 MAPT (0.55) MAPTMAPK1ALDH1A1HTTMEN1
SCHEMBL6684426 0.90 MAPT (0.50) MAPTMAPK1ALDH1A1HTTMEN1
SCHEMBL6689377 0.90 MAPT (0.50) MAPTMAPK1ALDH1A1HTTMEN1
SCHEMBL6689603 0.89 MAPK1 (0.48) MAPTMAPK1ALDH1A1HTTMEN1
SCHEMBL6684355 0.89 CYP1A1 (0.50) MAPTMAPK1ALDH1A1HTTMEN1
SCHEMBL6692627 0.88 MAPK1 (0.48) MAPTMAPK1ALDH1A1HTTMEN1

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