SCHEMBL6683533

SCHEMBL6683533

COc1ccc(CCC(=O)NCc2cn(-c3ccccc3)nc2-c2cccs2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ADORA3 P0DMS8 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 4/20 0.47
CCNE1 P24864 4/20 0.46
CDK2 P24941 4/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
PPARG P37231 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45

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
SCHEMBL6684415 0.91 SMN1; SMN2 (0.54) KDM4EADORA3MEN1KMT2AALDH1A1
SCHEMBL6678678 0.85 ADORA3 (0.60) KDM4EADORA3MEN1KMT2AALDH1A1
SCHEMBL6681047 0.84 MEN1 (0.55) KDM4EADORA3MEN1KMT2AALDH1A1
SCHEMBL6677923 0.83 CCNE1 (0.53) KDM4EADORA3MEN1KMT2AALDH1A1
SCHEMBL6681136 0.82 MEN1 (0.57) KDM4EADORA3MEN1KMT2AALDH1A1
SCHEMBL6683539 0.81 ADORA3 (0.54) KDM4EADORA3MEN1KMT2AALDH1A1
SCHEMBL6684117 0.80 ALDH1A1 (0.69) KDM4EADORA3MEN1KMT2AALDH1A1
SCHEMBL6677031 0.79 LMNA (0.59) KDM4EADORA3MEN1KMT2AHSD17B10
SCHEMBL6679128 0.78 ALDH1A1 (0.53) KDM4EADORA3MEN1KMT2AALDH1A1
SCHEMBL6679006 0.78 ALDH1A1 (0.56) KDM4EMEN1KMT2AALDH1A1LMNA

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