SCHEMBL29464847

SCHEMBL29464847

Nc1ccnc(SCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
ABL1 P00519 1/20 0.50
RIN1 Q13671 1/20 0.50
SMN1; SMN2 Q16637 6/20 0.49
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
POLB P06746 3/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NFKB1 P19838 1/20 0.45
HTT P42858 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ASIC3 Q9UHC3 1/20 0.44
MAPT P10636 4/20 0.43
ALOX15 P16050 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
SCN9A Q15858 1/20 0.41
HRH4 Q9H3N8 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
SCHEMBL19925549 1.00 HSD17B10 (0.50) HSD17B10ABL1RIN1SMN1; SMN2RAB9A
SCHEMBL21906037 0.79 HSD17B10 (0.50) HSD17B10ABL1RIN1SMN1; SMN2RAB9A
SCHEMBL30665391 0.79 HSD17B10 (0.50) HSD17B10ABL1RIN1SMN1; SMN2RAB9A
SCHEMBL21906009 0.79 HSD17B10 (0.50) HSD17B10ABL1RIN1SMN1; SMN2RAB9A
SCHEMBL1828420 0.79 HSD17B10 (0.50) HSD17B10ABL1RIN1SMN1; SMN2RAB9A
SCHEMBL30841348 0.79 HSD17B10 (0.50) HSD17B10ABL1RIN1SMN1; SMN2RAB9A
SCHEMBL21906129 0.79 HSD17B10 (0.50) HSD17B10ABL1RIN1SMN1; SMN2RAB9A
SCHEMBL30990696 0.78 ABL1 (0.49) HSD17B10ABL1RIN1SMN1; SMN2RAB9A
SCHEMBL400161 0.76 POLB (0.70) HSD17B10ABL1RIN1SMN1; SMN2RAB9A
SCHEMBL15970465 0.76 MAOA (0.53) HSD17B10ABL1RIN1SMN1; SMN2RAB9A

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
WO-2024217557-A1 SUBSTITUTED TETRAHYDROFURANS AS NAV1.8 INHIBITORS 武汉人福创新药物研发中心有限公司 2024-10-24 WO disclosed
CN-118812519-A Substituted tetrahydrofurans as Nav1.8 inhibitors 武汉人福创新药物研发中心有限公司 2024-10-22 CN disclosed
CN-117586180-A Compounds useful as inhibitors of voltage-gated sodium channels 广州费米子科技有限责任公司 2024-02-23 CN disclosed
CN-109641873-B N- (pyridin-2-yl) pyridine-sulfonamide derivatives and their use for the treatment of disease 诺华股份有限公司 2022-03-18 CN disclosed