SCHEMBL6682564

SCHEMBL6682564

O=C(Nc1cn(-c2ccccc2)nc1-c1cccs1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
MAPT P10636 7/20 0.59
TSHR P16473 1/20 0.59
ADORA3 P0DMS8 3/20 0.55
KDM4E B2RXH2 8/20 0.54
LMNA P02545 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.54
MCOLN3 Q8TDD5 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 7/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
POLB P06746 1/20 0.49
HPGD P15428 3/20 0.49

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
SCHEMBL6679138 0.91 MAPT (0.64) MEN1KMT2AMAPTTSHRADORA3
SCHEMBL6678084 0.86 MAPT (0.72) MEN1KMT2AMAPTTSHRADORA3
SCHEMBL6684153 0.85 KMT2A (0.52) MEN1KMT2AMAPTTSHRADORA3
SCHEMBL6683268 0.85 MAPT (0.62) MEN1KMT2AMAPTTSHRADORA3
SCHEMBL6683414 0.85 MAPT (0.62) MEN1KMT2AMAPTTSHRADORA3
SCHEMBL6677039 0.82 MEN1 (0.59) MEN1KMT2AMAPTTSHRADORA3
SCHEMBL6684407 0.79 KDM4E (0.70) MEN1KMT2AMAPTTSHRADORA3
SCHEMBL6676970 0.79 MAPT (0.66) MEN1KMT2AMAPTTSHRADORA3
SCHEMBL6686801 0.79 MEN1 (0.71) MEN1KMT2AMAPTTSHRADORA3
SCHEMBL6691293 0.77 ALDH1A1 (0.68) MEN1KMT2AMAPTTSHRKDM4E

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