SCHEMBL6684428

SCHEMBL6684428

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 8/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
KDM4E B2RXH2 4/20 0.57
HTT P42858 3/20 0.57
LMNA P02545 2/20 0.57
PTGS1 P23219 2/20 0.54
PTGS2 P35354 2/20 0.54
NPSR1 Q6W5P4 1/20 0.53
HPGD P15428 3/20 0.48
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
POLB P06746 2/20 0.46
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 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
SCHEMBL6689380 1.00 MAPT (0.58) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6678048 0.95 ALDH1A1 (0.62) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6683010 0.95 MAPT (0.62) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6678977 0.90 ALDH1A1 (0.54) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6691775 0.90 ALDH1A1 (0.54) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6678024 0.89 MAPT (0.58) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6687984 0.89 MAPT (0.58) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6691518 0.88 PTGS1 (0.58) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6686099 0.88 MAPT (0.55) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6692630 0.87 PTGS1 (0.56) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A

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