SCHEMBL9706778

SCHEMBL9706778

O=C(O)C(C(=O)Nc1cccnc1)=C1SC=CS1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
PKM P14618 1/20 0.60
NAMPT P43490 4/20 0.50
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 3/20 0.48
HIF1A Q16665 1/20 0.48
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.46
PTBP1 P26599 1/20 0.46
HTT P42858 1/20 0.46
KLF5 Q13887 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NOTUM Q6P988 1/20 0.44

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
SCHEMBL9706743 0.83 PTPN1 (0.46) RAB9ANPC1PKMALDH1A1KDM4E
SCHEMBL6630167 0.80 RAB9A (0.79) RAB9ANPC1PKMNAMPTALDH1A1
SCHEMBL30504811 0.78 RAB9A (0.89) RAB9ANPC1PKMNAMPTALDH1A1
SCHEMBL9673903 0.72 RAB9A (0.60) RAB9ANPC1PKMALDH1A1KDM4E
SCHEMBL967245 0.72 RAB9A (0.72) RAB9ANPC1PKMNAMPTALDH1A1
SCHEMBL11213715 0.72 RAB9A (0.72) RAB9ANPC1PKMNAMPTALDH1A1
SCHEMBL6989004 0.72 RAB9A (0.71) RAB9ANPC1PKMNAMPTALDH1A1
SCHEMBL9262080 0.72 RAB9A (0.71) RAB9ANPC1PKMNAMPTALDH1A1
SCHEMBL9637653 0.70 MEN1 (0.77) RAB9ANPC1PKMNAMPTALDH1A1
SCHEMBL30051982 0.70 MEN1 (0.77) RAB9ANPC1PKMNAMPTALDH1A1

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
US-5158950-A Treatment of liver disorders YUHAN CORPORATION, LTD. (KR) 1992-10-27 US disclosed