SCHEMBL9741908

SCHEMBL9741908

CCOc1ncnc(Cl)c1SCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2E3 Q9Y5X4 1/20 0.46
EGFR P00533 1/20 0.40
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 3/20 0.39
HTT P42858 3/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
VCAM1 P19320 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
MAPT P10636 4/20 0.37
PKM P14618 4/20 0.36
CDC7 O00311 2/20 0.36
DBF4 Q9UBU7 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 3/20 0.36
HPGD P15428 3/20 0.36

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
SCHEMBL9741437 0.99 NR2E3 (0.45) NR2E3EGFRALDH1A1TDP1HTT
SCHEMBL9427382 0.90 NR2E3 (0.48) NR2E3EGFRALDH1A1TDP1HTT
SCHEMBL9426904 0.83 HSD17B10 (0.50) ALDH1A1TDP1HTTHSD17B10SMN1; SMN2
SCHEMBL9427276 0.83 NR2E3 (0.43) NR2E3EGFRALDH1A1TDP1HTT
SCHEMBL9740941 0.82 NPSR1 (0.41) NR2E3ALDH1A1TDP1HTTHSD17B10
SCHEMBL9741511 0.80 NR2E3 (0.41) NR2E3EGFRALDH1A1TDP1HTT
SCHEMBL9741013 0.79 ICAM1 (0.42) NR2E3ALDH1A1TDP1HTTHSD17B10
SCHEMBL30953885 0.75 HSD17B10 (0.46) NR2E3EGFRALDH1A1TDP1HTT
SCHEMBL9741033 0.75 LDHA (0.47) NR2E3ALDH1A1TDP1HTTHSD17B10
SCHEMBL9741027 0.71 NPSR1 (0.44) NR2E3ALDH1A1TDP1HTTHSD17B10

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