SCHEMBL27820478

SCHEMBL27820478

O=COc1ccc2c(c1)[nH]c1ccccc12

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 11/20 0.57
▸ AHR P35869 2/20 0.52
▸ CTSV O60911 1/20 0.49
▸ CTSL P07711 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ GPR3 P46089 1/20 0.48
▸ CBFB Q13951 1/20 0.45
▸ ABCG2 Q9UNQ0 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
SCHEMBL22856738 0.80 KIF11 (0.66) KIF11AHRCTSVCTSLALDH1A1
SCHEMBL7524207 0.79 CTSV (0.56) KIF11AHRCTSVCTSLALDH1A1
SCHEMBL1181326 0.77 KDM4E (0.79) KIF11AHRALDH1A1HSD17B10MEN1
SCHEMBL29670412 0.77 KDM4E (0.79) KIF11AHRALDH1A1HSD17B10MEN1
SCHEMBL30115280 0.77 KDM4E (0.79) KIF11AHRALDH1A1HSD17B10MEN1
SCHEMBL28447430 0.75 KIF11 (0.60) KIF11AHRCTSVCTSLALDH1A1
SCHEMBL20720009 0.73 KIF11 (0.58) KIF11AHRCTSVCTSLALDH1A1
SCHEMBL1180269 0.73 KDM4E (0.61) KIF11AHRCTSVCTSLALDH1A1
SCHEMBL29953653 0.73 KIF11 (1.00) KIF11AHRALDH1A1HSD17B10MEN1
SCHEMBL7963280 0.73 KIF11 (1.00) KIF11AHRALDH1A1HSD17B10MEN1

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
CN-102161743-B Solvent-free aqueous polyurethane dispersion and preparation and application thereof AIR PRODUCTS AND CHEMICALS, INC. (US) 2016-04-06 — — CN disclosed
CN-102161743-A Solvent free aqueous polyurethane dispersions and methods of making and using the same AIR PROD & CHEM 2011-08-24 — — CN disclosed
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