SCHEMBL6679654

SCHEMBL6679654

O=C(NC(c1ccccc1)c1c[nH]nc1-c1cccs1)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 12/20 0.45
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 2/20 0.35
PDE2A O00408 1/20 0.35

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
SCHEMBL6691606 0.88 HSD17B2 (0.41) TRPM8ALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL6678578 0.83 MAPT (0.42) ALDH1A1HTTSMN1; SMN2LMNAMEN1
SCHEMBL6689991 0.83 MAPT (0.41) TRPM8ALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL6698055 0.81 ALDH1A1 (0.42) ALDH1A1HTTSMN1; SMN2HPGDLMNA
SCHEMBL6677935 0.78 KCNK3 (0.40) ALDH1A1HTTSMN1; SMN2HPGDLMNA
SCHEMBL6683423 0.74 MAPT (0.48) ALDH1A1SMN1; SMN2HPGDLMNAMEN1
SCHEMBL6689149 0.73 GPR139 (0.39) ALDH1A1HTTSMN1; SMN2NPSR1LMNA
SCHEMBL4916663 0.69 FGFR2 (0.37) ALDH1A1HTTSMN1; SMN2HPGDMEN1
SCHEMBL6677495 0.65 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2HPGDLMNAMEN1
SCHEMBL16714289 0.63 MAPT (0.38) ALDH1A1HTTSMN1; SMN2MEN1MAPT

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 1 patent. 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