SCHEMBL3245863

SCHEMBL3245863

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3c([N+](=O)[O-])cccc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNA2 P51530 1/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ PARP1 P09874 1/20 0.44
▸ FBP1 P09467 6/20 0.43
▸ MAPT P10636 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CLEC4M Q9H2X3 1/20 0.40
▸ TYMS P04818 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CACNA1C Q13936 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL3245558 0.83 CLEC4M (0.52) DNA2CASP6CTDSP1PARP1FBP1
SCHEMBL3250627 0.79 MAPT (0.46) PARP1MAPTALDH1A1KDM4ELMNA
SCHEMBL3249310 0.74 DNA2 (0.67) DNA2CASP6CTDSP1PARP1FBP1
SCHEMBL4739348 0.73 CLEC4M (0.71) DNA2CASP6CTDSP1MAPTNPC1
SCHEMBL3255981 0.73 HIF1A (0.49) MAPTMAPK1ALDH1A1KDM4ELMNA
SCHEMBL4161648 0.72 FBP1 (0.56) DNA2CASP6CTDSP1PARP1FBP1
SCHEMBL3243057 0.72 CHEK1 (0.37) MAPK1L3MBTL1CLEC4MTYMSALDH1A1
SCHEMBL6199586 0.72 PARP1 (0.50) PARP1FBP1MAPTNPC1MAPK1
SCHEMBL3245727 0.72 GABRA1 (0.50) MAPTNPC1L3MBTL1ALDH1A1LMNA
SCHEMBL3251609 0.72 PARP1 (0.44) PARP1L3MBTL1CLEC4MTYMSALDH1A1

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
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 — — EP claimed
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