SCHEMBL6810193

SCHEMBL6810193

COC(=O)c1ccc2c(-c3nc4c(C(N)=O)cccc4[nH]3)c[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 18/20 0.55
ASH1L Q9NR48 1/20 0.55
PKN1 Q16512 1/20 0.52
PKN2 Q16513 1/20 0.52
PLA2G2A P14555 1/20 0.51
ALOX15 P16050 1/20 0.51
PTGS2 P35354 1/20 0.51

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
SCHEMBL6583791 0.86 ASH1L (0.53) PARP1ASH1LPKN1PKN2
SCHEMBL6810200 0.85 ASH1L (0.54) PARP1ASH1L
SCHEMBL6802028 0.81 PARP1 (0.66) PARP1PKN1PKN2
SCHEMBL6805072 0.80 PARP1 (0.65) PARP1PKN1PKN2PLA2G2AALOX15
SCHEMBL28840576 0.80 PARP1 (0.77) PARP1PKN1PKN2PLA2G2AALOX15
SCHEMBL29790457 0.80 PARP1 (0.77) PARP1PKN1PKN2PLA2G2AALOX15
SCHEMBL14023513 0.78 PARP1 (0.50) PARP1ASH1L
SCHEMBL14091584 0.77 KDM4E (0.55) PARP1ASH1L
SCHEMBL658640 0.76 PARP1 (0.56) PARP1PKN1PKN2PLA2G2AALOX15
SCHEMBL6807494 0.76 PARP1 (0.63) PARP1PKN1PKN2

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-6696437-B1 Heterocyclically substituted benzimidazoles, the production and application thereof ABBOTT GMBH & CO. KG (DE) 2004-02-24 US disclosed