SCHEMBL5336044

SCHEMBL5336044

O=C(O)c1nc2n(c(=O)c1O)CCSC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.37
POLB P06746 3/20 0.37
GFER P55789 3/20 0.37
ALDH1A1 P00352 11/20 0.37
HSD17B10 Q99714 9/20 0.37
NPC1 O15118 8/20 0.37
RAB9A P51151 8/20 0.37
TP53 P04637 6/20 0.37
USP2 O75604 6/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 2/20 0.37
PKM P14618 1/20 0.35
ERCC1 P07992 1/20 0.35
FEN1 P39748 1/20 0.35
ERCC4 Q92889 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 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
SCHEMBL1169950 0.80 MAPT (0.43) MAPTPOLBGFERALDH1A1HSD17B10
SCHEMBL12775290 0.64 MAPT (0.34) MAPTPOLBGFERALDH1A1HSD17B10
SCHEMBL3436480 0.63 TP53 (0.64) MAPTPOLBGFERALDH1A1HSD17B10
SCHEMBL1749459 0.61 MAPK1 (0.50) MAPTPOLBALDH1A1HSD17B10NPC1
SCHEMBL13824168 0.60 HSD17B10 (0.56) MAPTPOLBALDH1A1HSD17B10NPC1
SCHEMBL13672438 0.60 MAPK1 (0.39) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL1750234 0.60 MAPT (0.45) MAPTPOLBALDH1A1HSD17B10NPC1
SCHEMBL13824130 0.60 ALDH1A1 (0.44) MAPTPOLBALDH1A1HSD17B10NPC1
SCHEMBL1169614 0.59 MAP3K12 (0.34) ERCC1FEN1ERCC4
SCHEMBL874433 0.59 L3MBTL1 (0.43) MAPTPOLBALDH1A1HSD17B10RAB9A

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-2007059125-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-24 WO disclosed