SCHEMBL6683017

SCHEMBL6683017

CN(C)c1ccc(C(=O)Nc2cn(-c3ccccc3)nc2-c2cccs2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.68
KMT2A Q03164 11/20 0.68
MEN1 O00255 10/20 0.68
ALDH1A1 P00352 10/20 0.68
MCL1 Q07820 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
TSHR P16473 1/20 0.62
KDM4E B2RXH2 10/20 0.57
LMNA P02545 5/20 0.57
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
HPGD P15428 5/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HTT P42858 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
GAA P10253 3/20 0.51
MITF O75030 1/20 0.51
ADORA3 P0DMS8 3/20 0.51

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
SCHEMBL6678084 0.89 MAPT (0.72) MAPTKMT2AMEN1ALDH1A1MCL1
SCHEMBL6676970 0.88 MAPT (0.66) MAPTKMT2AMEN1ALDH1A1MCL1
SCHEMBL6684407 0.88 KDM4E (0.70) MAPTKMT2AMEN1ALDH1A1MCL1
SCHEMBL6680339 0.85 ADORA3 (0.66) MAPTKMT2AMEN1ALDH1A1TSHR
SCHEMBL6679138 0.85 MAPT (0.64) MAPTKMT2AMEN1ALDH1A1MCL1
SCHEMBL6683268 0.81 MAPT (0.62) MAPTKMT2AMEN1ALDH1A1MCL1
SCHEMBL6686801 0.81 MEN1 (0.71) MAPTKMT2AMEN1ALDH1A1MCL1
SCHEMBL6683414 0.79 MAPT (0.62) MAPTKMT2AMEN1ALDH1A1MCL1
SCHEMBL6677039 0.79 MEN1 (0.59) MAPTKMT2AMEN1ALDH1A1TSHR
SCHEMBL6688828 0.78 MEN1 (0.67) MAPTKMT2AMEN1ALDH1A1MCL1

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