SCHEMBL10691296

SCHEMBL10691296

COC(=O)c1cccc2[nH]c(CCc3ccc(OC)c(OC)c3)nc12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.50
RIPK1 Q13546 2/20 0.47
PKN1 Q16512 1/20 0.47
PKN2 Q16513 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
POLB P06746 1/20 0.46
NTRK1 P04629 4/20 0.46
NTRK2 Q16620 4/20 0.46
GAA P10253 1/20 0.45
CREBBP Q92793 1/20 0.45
APP P05067 1/20 0.44

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
SCHEMBL10691303 0.83 POLB (0.46) ABCG2POLBNTRK1NTRK2GAA
SCHEMBL1917467 0.80 RIPK1 (0.62) PARP1RIPK1PKN1PKN2GAA
SCHEMBL9125563 0.78 RIPK1 (0.67) PARP1RIPK1PKN1PKN2
SCHEMBL7478397 0.77 PKN1 (0.59) PARP1RIPK1PKN1PKN2GAA
SCHEMBL12730392 0.76 PKN1 (0.57) PARP1RIPK1PKN1PKN2GAA
SCHEMBL6841804 0.76 PKN1 (0.57) PARP1RIPK1PKN1PKN2GAA
SCHEMBL15767242 0.76 PKN1 (0.57) RIPK1PKN1PKN2
SCHEMBL2845527 0.76 RIPK1 (0.58) PARP1RIPK1PKN1PKN2POLB
SCHEMBL20106695 0.75 POLB (0.78) POLBNTRK1NTRK2
SCHEMBL939723 0.75 RIPK1 (0.59) PARP1RIPK1PKN1PKN2GAA

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