SCHEMBL6687984

SCHEMBL6687984

O=C(C=Cc1cn(-c2ccc(F)cc2)nc1-c1cccnc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 8/20 0.55
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
KDM4E B2RXH2 4/20 0.55
HTT P42858 3/20 0.55
LMNA P02545 2/20 0.55
NPSR1 Q6W5P4 1/20 0.52
HPGD P15428 3/20 0.47
CYP1A1 P04798 2/20 0.47
CYP1B1 Q16678 2/20 0.47
SRC P12931 1/20 0.46
BRAF P15056 1/20 0.46
KDR P35968 1/20 0.46
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
POLB P06746 3/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 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
SCHEMBL6678024 1.00 MAPT (0.58) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6688952 0.96 ALDH1A1 (0.59) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6683010 0.93 MAPT (0.62) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6691775 0.92 ALDH1A1 (0.54) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6678977 0.92 ALDH1A1 (0.54) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6684359 0.89 ALDH1A1 (0.52) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6689606 0.89 ALDH1A1 (0.52) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6689380 0.89 MAPT (0.58) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6684428 0.89 MAPT (0.58) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6687647 0.88 MAPT (0.54) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1

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