SCHEMBL9740941

SCHEMBL9740941

FC(F)(F)COc1ncnc(Cl)c1SCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 2/20 0.37
HTT P42858 2/20 0.37
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.35
PKM P14618 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
CDC7 O00311 2/20 0.34
DBF4 Q9UBU7 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL9741027 0.90 NPSR1 (0.44) NPSR1ALDH1A1TDP1HTTHSD17B10
SCHEMBL9741899 0.88 NPSR1 (0.43) NPSR1ALDH1A1TDP1HTTHSD17B10
SCHEMBL9741511 0.84 NR2E3 (0.41) NPSR1ALDH1A1TDP1HTTHSD17B10
SCHEMBL9741908 0.82 NR2E3 (0.46) NPSR1ALDH1A1TDP1HTTHSD17B10
SCHEMBL9741863 0.82 NPSR1 (0.39) NPSR1ALDH1A1TDP1HTTHSD17B10
SCHEMBL9741437 0.81 NR2E3 (0.45) NPSR1ALDH1A1TDP1HTTHSD17B10
SCHEMBL9426904 0.80 HSD17B10 (0.50) ALDH1A1TDP1HTTHSD17B10NPC1
SCHEMBL29838045 0.73 NPSR1 (0.42) NPSR1ALDH1A1HSD17B10NPC1MAPT
SCHEMBL26694307 0.73 NPSR1 (0.42) NPSR1ALDH1A1HSD17B10NPC1MAPT
SCHEMBL9427382 0.71 NR2E3 (0.48) NPSR1ALDH1A1TDP1HTTHSD17B10

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-1992006965-A1 HERBICIDAL SULFONYLUREA DERIVATIVES ICI AUSTRALIA OPERATIONS PROPRIETARY LIMITED (AU) 1992-04-30 WO disclosed