SCHEMBL11266034

SCHEMBL11266034

CNCCn1c(=O)c2cc3c(=O)n(CCNC)c(=O)c3cc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.53
▸ GAA P10253 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RXRA P19793 3/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SRC P12931 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ CARM1 Q86X55 2/20 0.33
▸ PRMT6 Q96LA8 2/20 0.33
▸ MAPT P10636 1/20 0.32
▸ PRMT8 Q9NR22 1/20 0.32

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
SCHEMBL11147190 0.89 ALDH1A1 (0.44) ALDH1A1GAAPOLBNPSR1RXRA
SCHEMBL12971677 0.75 ALDH1A1 (0.59) ALDH1A1GAAPOLBNPSR1CA12
SCHEMBL11483413 0.73 ALDH1A1 (0.37) ALDH1A1GAAPOLBNPSR1TDP1
SCHEMBL11274868 0.70 ALDH1A1 (0.54) ALDH1A1GAAPOLBNPSR1CA12
SCHEMBL862542 0.70 ALDH1A1 (0.53) ALDH1A1GAAPOLBNPSR1TDP1
SCHEMBL11275604 0.70 ALDH1A1 (0.53) ALDH1A1GAAPOLBNPSR1CA12
SCHEMBL12802981 0.70 ALDH1A1 (0.53) ALDH1A1GAAPOLBNPSR1CA12
SCHEMBL11267711 0.69 ALDH1A1 (0.58) ALDH1A1GAAPOLBNPSR1TDP1
SCHEMBL11423461 0.69 KDM4E (0.33) ALDH1A1MAPT
SCHEMBL17714637 0.68 ALDH1A1 (0.52) ALDH1A1GAAPOLBNPSR1CA12

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
EP-0010441-B1 THE USE OF SYMMETRICALLY SUBSTITUTED PYROMELLITIC DIIMIDES AS RUMINANT FEED ADDITIVES. COMPOSITIONS CONTAINING THESE FEED ADDITIVES MERCK & CO. INC. (US) 1982-04-21 — — EP disclosed
US-4212880-A INCREASE FEED EFFICIENCY MERCK & CO., INC. (US) 1980-07-15 — — US disclosed
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