SCHEMBL9427014

SCHEMBL9427014

Oc1ncnc(O)c1SCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 5/20 0.49
TDP1 Q9NUW8 2/20 0.49
HTT P42858 1/20 0.49
PKM P14618 3/20 0.44
CDC7 O00311 2/20 0.44
DBF4 Q9UBU7 2/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DAO P14920 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP2C9 P11712 1/20 0.42
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL9741411 0.87 ICAM1 (0.43) HSD17B10ALDH1A1TDP1HTTPKM
SCHEMBL9427276 0.83 NR2E3 (0.43) HSD17B10ALDH1A1TDP1HTTPKM
SCHEMBL9426904 0.77 HSD17B10 (0.50) HSD17B10ALDH1A1TDP1HTTPKM
SCHEMBL367099 0.76 POLB (0.56) HSD17B10TDP1PKMMAPTL3MBTL1
SCHEMBL30953885 0.73 HSD17B10 (0.46) HSD17B10ALDH1A1TDP1HTTPKM
SCHEMBL3257038 0.72 LMNA (0.71) ALDH1A1PKMCDC7DBF4MAPT
SCHEMBL3257036 0.72 LMNA (0.56) ALDH1A1HTTPKMCDC7DBF4
SCHEMBL9741013 0.72 ICAM1 (0.42) HSD17B10ALDH1A1TDP1HTTPKM
SCHEMBL9427382 0.72 NR2E3 (0.48) HSD17B10ALDH1A1TDP1HTTPKM
SCHEMBL5477397 0.69 CALM1 (0.46) ALDH1A1HTTCDC7DBF4SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5298480-A Plant growth regulators ICI AUSTRALIA OPERATIONS PROPRIETARY LIMITED (AU) 1994-03-29 US disclosed
WO-1993010103-A1 HERBICIDAL SULFONYLURIA DERIVATIVES ICI AUSTRALIA OPERATIONS PROPRIETARY LIMITED (AU) 1993-05-27 WO disclosed
WO-1992006965-A1 HERBICIDAL SULFONYLUREA DERIVATIVES ICI AUSTRALIA OPERATIONS PROPRIETARY LIMITED (AU) 1992-04-30 WO disclosed
EP-0457581-A1 Herbicidal sulfonylurea derivatives ICI AUSTRALIA OPERATIONS PROPRIETARY LIMITED (AU) 1991-11-21 EP disclosed