SCHEMBL18744591

SCHEMBL18744591

NCCCCCCn1c(=O)c2cc3c(=O)[nH]c(=O)c3cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 18/20 0.43
▸ RXRA P19793 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.40
▸ HASPIN Q8TF76 1/20 0.37

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
SCHEMBL18929535 1.00 TDP1 (0.43) TDP1RXRAALDH1A1HASPIN
SCHEMBL11149457 0.86 ALDH1A1 (0.44) TDP1RXRAALDH1A1
SCHEMBL24167474 0.83 TDP1 (0.44) TDP1RXRAALDH1A1
SCHEMBL17798767 0.81 TDP1 (0.50) TDP1RXRAALDH1A1
SCHEMBL11146401 0.75 ALDH1A1 (0.48) TDP1ALDH1A1
SCHEMBL11149438 0.75 ALDH1A1 (0.44) TDP1ALDH1A1
SCHEMBL11149357 0.75 ALDH1A1 (0.44) ALDH1A1
SCHEMBL11264592 0.73 ALDH1A1 (0.54) TDP1RXRAALDH1A1
SCHEMBL11148463 0.71 ALDH1A1 (0.44) TDP1ALDH1A1
SCHEMBL11147190 0.71 ALDH1A1 (0.44) TDP1RXRAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9803047-B2 Alternating ring-opening metathesis polymerization THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-10-31 — — US disclosed
US-9624338-B2 Alternating ring-opening metathesis polymerization THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-04-18 — — US disclosed
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