SCHEMBL6236696

SCHEMBL6236696

O=c1c2c(Cl)cccc2nnn1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
POLB P06746 2/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
PARP1 P09874 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MGAM O43451 1/20 0.37
AMY1A P0DUB6 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
PDE10A Q9Y233 1/20 0.36
ELANE P08246 1/20 0.36
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL17950452 0.79 SLC9A1 (0.43) ERCC5FEN1PARP1LMNATDP1
SCHEMBL10600690 0.79 POLB (0.43) POLBMAPK1ATMNPC1CASP3
SCHEMBL3282387 0.74 KDM4E (0.49) POLBMAPK1ATMLMNATDP1
SCHEMBL29016438 0.72 GPR139 (0.46) ERCC5FEN1POLBPARP1LMNA
SCHEMBL17950672 0.71 KMT2A (0.43) LMNATDP1KMT2AMEN1
SCHEMBL10988950 0.71 LMNA (0.43) POLBLMNATDP1MGAMAMY1A
SCHEMBL29350840 0.71 MEN1 (0.57) POLBMAPK1ATMLMNATDP1
SCHEMBL2954 0.71 MEN1 (0.57) POLBMAPK1ATMLMNATDP1
SCHEMBL4884291 0.69 MEN1 (0.56) POLBMAPK1ATMLMNATDP1
SCHEMBL30546913 0.67 POLB (0.44) FEN1POLBMAPK1ATMPARP1

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-2005007634-A1 3-HYDROXY-4-OXO-1,2,3-TRIAZINES AND DERIVATIVES THEREOF FOR AMIDE AND ESTER BOND FORMATION FRUTAROM LTD. (IL) 2005-01-27 WO disclosed