SCHEMBL6677449

SCHEMBL6677449

O=C(Cc1cccc(Cl)c1)Nc1cn(-c2ccccc2)nc1-c1cccs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.59
KMT2A Q03164 9/20 0.59
MAPT P10636 5/20 0.59
TSHR P16473 1/20 0.59
ADORA3 P0DMS8 1/20 0.52
ALDH1A1 P00352 12/20 0.49
KDM4E B2RXH2 8/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HTT P42858 4/20 0.49
LMNA P02545 3/20 0.49
HPGD P15428 3/20 0.49
MITF O75030 1/20 0.49
XBP1 P17861 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
CACNA1G O43497 1/20 0.48
CACNA1H O95180 1/20 0.48
CACNA1C Q13936 1/20 0.48

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
SCHEMBL6679150 0.88 MEN1 (0.59) MEN1KMT2AMAPTTSHRADORA3
SCHEMBL6683414 0.83 MAPT (0.62) MEN1KMT2AMAPTTSHRADORA3
SCHEMBL6683498 0.83 MEN1 (0.59) MEN1KMT2AMAPTTSHRADORA3
SCHEMBL6681967 0.81 MEN1 (0.66) MEN1KMT2AMAPTTSHRADORA3
SCHEMBL6678026 0.80 ALDH1A1 (0.72) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL6676240 0.79 MEN1 (0.62) MEN1KMT2AMAPTTSHRADORA3
SCHEMBL6681190 0.76 MEN1 (0.64) MEN1KMT2AMAPTTSHRADORA3
SCHEMBL6672985 0.76 MEN1 (0.59) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL6678084 0.75 MAPT (0.72) MEN1KMT2AMAPTTSHRADORA3
SCHEMBL6686801 0.74 MEN1 (0.71) MEN1KMT2AMAPTTSHRADORA3

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