SCHEMBL13189792

SCHEMBL13189792

Nc1nc(C2=CC(C(F)(F)F)=C(F)CC2)cs1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPL P40238 6/20 0.41
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 3/20 0.39
ALOX5 P09917 1/20 0.39
LTA4H P09960 3/20 0.38
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NOS1 P29475 1/20 0.34
ALOX15 P16050 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL13076339 0.81 ALDH1A1 (0.43) MPLALDH1A1RAB9AALOX5LTA4H
SCHEMBL12292215 0.75 MPL (0.38) MPLALDH1A1RAB9AALOX5LTA4H
SCHEMBL12293459 0.67 MPL (0.39) MPLALDH1A1RAB9AALOX5LTA4H
SCHEMBL12292213 0.66 ALDH1A1 (0.36) MPLALDH1A1RAB9AALOX5MEN1
SCHEMBL10719025 0.63 ALDH1A1 (0.61) MPLALDH1A1RAB9AALOX5LTA4H
SCHEMBL20390649 0.62 ALDH1A1 (0.44) ALDH1A1RAB9AALOX5LTA4HMEN1
SCHEMBL474185 0.61 MPL (0.60) MPLALDH1A1RAB9AALOX5LTA4H
SCHEMBL1801097 0.61 MPL (0.65) MPLALDH1A1RAB9AALOX5LTA4H
SCHEMBL245790 0.61 SMN1; SMN2 (0.44) MPLALDH1A1RAB9AALOX5LTA4H
SCHEMBL1800446 0.60 MPL (0.59) MPLALDH1A1RAB9AALOX5LTA4H

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-2010109329-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 WO disclosed