SCHEMBL6684443

SCHEMBL6684443

COc1ccc(C(=O)Nc2cc(-c3cccs3)nn2-c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
POLB P06746 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
KMT2A Q03164 2/20 0.57
LMNA P02545 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
F2 P00734 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
GRM5 P41594 4/20 0.56
ADORA3 P0DMS8 1/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL6678495 0.85 SMN1; SMN2 (0.56) MAPTPOLBSMN1; SMN2KMT2ALMNA
SCHEMBL2850317 0.78 KDM1A (0.58) MAPTPOLBSMN1; SMN2KMT2ALMNA
SCHEMBL6680339 0.76 ADORA3 (0.66) MAPTSMN1; SMN2KMT2ALMNAKDM4E
SCHEMBL5924065 0.73 SMN1; SMN2 (0.51) MAPTSMN1; SMN2KMT2ALMNAKDM4E
SCHEMBL6681714 0.73 ADORA3 (0.61) MAPTSMN1; SMN2KMT2ALMNAKDM4E
SCHEMBL2482825 0.72 GRM5 (1.00) LMNAGRM5
SCHEMBL26855253 0.72 MAPT (0.65) MAPTPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL5924153 0.72 KDM1A (0.52) MAPTPOLBSMN1; SMN2KMT2ALMNA
SCHEMBL10061505 0.71 POLB (0.62) MAPTPOLBSMN1; SMN2LMNAGRM5
SCHEMBL5924283 0.71 GRM5 (1.00) MAPTLMNAGRM5ALDH1A1

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