SCHEMBL6683009

SCHEMBL6683009

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 7/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 3/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 1/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL6684426 0.96 MAPT (0.50) MAPK1ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL6689377 0.96 MAPT (0.50) MAPK1ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL6678023 0.93 MAPT (0.47) MAPK1ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL6687978 0.93 MAPT (0.47) MAPK1ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL6686093 0.92 MAPK1 (0.52) MAPK1ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL6687644 0.91 MAPK1 (0.48) MAPK1ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL6678045 0.90 MAPT (0.55) MAPK1ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL6688949 0.89 MAPK1 (0.49) MAPK1ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL6679218 0.88 MAPK1 (0.64) MAPK1ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL6678974 0.85 MAPT (0.47) MAPK1ALDH1A1MAPTSMN1; SMN2HTT

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