SCHEMBL10691303

SCHEMBL10691303

COC(=O)c1cccc2nc(CCc3ccc(OC)c(OC)c3)[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
NTRK1 P04629 6/20 0.46
NTRK2 Q16620 5/20 0.46
GAA P10253 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NOD2 Q9HC29 1/20 0.44
DHODH Q02127 1/20 0.43

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
SCHEMBL10691296 0.83 PARP1 (0.50) POLBNTRK1NTRK2GAAABCG2
SCHEMBL1917771 0.80 RIPK1 (0.44) GAAMEN1KMT2A
SCHEMBL29261995 0.78 CHRM1 (0.53) POLBGAAKMT2A
SCHEMBL29894060 0.78 CHRM1 (0.53) POLBGAAKMT2A
SCHEMBL9197306 0.78 RIPK1 (0.48) PKMGAAKMT2A
SCHEMBL7721019 0.77 DDAH1 (0.44) GAAMEN1KMT2A
SCHEMBL3079241 0.77 MAPT (0.43) POLBPKMGAAKMT2A
SCHEMBL7002080 0.76 KDM4E (0.48) PKMGAAMEN1KMT2A
SCHEMBL1552358 0.76 RNASEH1 (0.54) PKMGAAMEN1KMT2A
SCHEMBL20106695 0.75 POLB (0.78) POLBPKMNTRK1NTRK2

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-4769384-A ANTIULCER AGENTS NIPPON SHINYAKU CO. LTD. (JP) 1988-09-06 US disclosed