SCHEMBL6677935

SCHEMBL6677935

O=C(NC(c1ccccc1)c1c[nH]nc1-c1cccs1)c1ccccc1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.40
KCNK9 Q9NPC2 4/20 0.40
ANO1 Q5XXA6 1/20 0.39
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.36
ESR1 P03372 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
CSNK1E P49674 3/20 0.36
CSNK1D P48730 1/20 0.36
HSD17B2 P37059 3/20 0.36
TACR3 P29371 1/20 0.35
PNLIP P16233 1/20 0.35
BRAF P15056 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
SCHEMBL6683423 0.88 MAPT (0.48) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL6698055 0.85 ALDH1A1 (0.42) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL6689991 0.85 MAPT (0.41) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL6691606 0.83 HSD17B2 (0.41) MEN1MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL6689149 0.81 GPR139 (0.39) ANO1MEN1MAPTKMT2AALDH1A1
SCHEMBL6678578 0.79 MAPT (0.42) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL6679654 0.78 TRPM8 (0.45) MEN1MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL23623288 0.68 KMT2A (0.47) KCNK3KCNK9RXFP1MEN1MAPT
SCHEMBL31457366 0.68 KMT2A (0.47) KCNK3KCNK9RXFP1MEN1MAPT
SCHEMBL23623239 0.67 HPGD (0.41) KCNK3KCNK9RXFP1MEN1MAPT

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 disclosed