SCHEMBL6678019

SCHEMBL6678019

COc1ccc(CN(Cc2cn(-c3ccccc3)nc2-c2cccs2)S(C)(=O)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
APLNR P35414 1/20 0.48
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 5/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 1/20 0.42
MCL1 Q07820 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CCNE1 P24864 4/20 0.41
CDK2 P24941 4/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
AURKA O14965 2/20 0.41

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
SCHEMBL6682346 0.85 KDM4E (0.49) MAPTALDH1A1SMN1; SMN2NPSR1KDM4E
SCHEMBL6677923 0.79 CCNE1 (0.53) MAPTALDH1A1SMN1; SMN2NPSR1KDM4E
SCHEMBL6679128 0.77 ALDH1A1 (0.53) MAPTALDH1A1SMN1; SMN2NPSR1KDM4E
SCHEMBL6684415 0.76 SMN1; SMN2 (0.54) MAPTALDH1A1SMN1; SMN2NPSR1KDM4E
SCHEMBL6678055 0.76 ALDH1A1 (0.54) MAPTALDH1A1SMN1; SMN2NPSR1KDM4E
SCHEMBL6683539 0.75 ADORA3 (0.54) MAPTALDH1A1SMN1; SMN2NPSR1KDM4E
SCHEMBL6683533 0.75 KDM4E (0.50) MAPTALDH1A1SMN1; SMN2NPSR1KDM4E
SCHEMBL6681136 0.74 MEN1 (0.57) MAPTALDH1A1NPSR1KDM4EADORA3
SCHEMBL6680230 0.74 MAPT (0.52) MAPTALDH1A1NPSR1KDM4EHTT
SCHEMBL6678678 0.74 ADORA3 (0.60) MAPTALDH1A1SMN1; SMN2NPSR1KDM4E

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