SCHEMBL11147190

SCHEMBL11147190

CNCCn1c(=O)c2cc3c(=O)[nH]c(=O)c3cc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ GAA P10253 3/20 0.38
▸ POLB P06746 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ RXRA P19793 3/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ SRC P12931 1/20 0.30
▸ CCNE2 O96020 1/20 0.30
▸ CDK4 P11802 1/20 0.30

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
SCHEMBL11266034 0.89 ALDH1A1 (0.53) ALDH1A1GAAPOLBNPSR1RXRA
SCHEMBL11483413 0.84 ALDH1A1 (0.37) ALDH1A1GAAPOLBNPSR1TDP1
SCHEMBL11146401 0.80 ALDH1A1 (0.48) ALDH1A1GAAPOLBNPSR1TDP1
SCHEMBL11149357 0.77 ALDH1A1 (0.44) ALDH1A1GAAPOLBNPSR1CA12
SCHEMBL11149438 0.77 ALDH1A1 (0.44) ALDH1A1GAAPOLBNPSR1CA12
SCHEMBL11149457 0.77 ALDH1A1 (0.44) ALDH1A1GAAPOLBNPSR1RXRA
SCHEMBL29674635 0.76 ALDH1A1 (0.79) ALDH1A1GAAPOLBNPSR1KDM4E
SCHEMBL29674594 0.76 MPO (0.49) ALDH1A1GAATDP1KDM4E
SCHEMBL11148463 0.76 ALDH1A1 (0.44) ALDH1A1GAAPOLBNPSR1CA12
SCHEMBL13812446 0.76 ALDH1A1 (0.47) ALDH1A1GAAPOLBNPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0010440-B1 PYROMELLITIC DIIMIDES, PROCESSES FOR THEIR PREPARATION, THESE COMPOUNDS IN ORALLY ADMINISTRABLE FORM FOR USE IN INCREASING THE FEED EFFICIENCY OF A RUMINANT ANIMAL AND COMPOSITIONS FOR THIS PURPOSE CONTAINING THEM MERCK & CO. INC. (US) 1983-01-26 — — EP disclosed
US-4289784-A ASYMMETRICALLY SUBSTITUTED MERCK & CO., INC. (US) 1981-09-15 — — US disclosed
EP-0010440-A1 Pyromellitic diimides, processes for their preparation, these compounds in orally administrable form for use in increasing the feed efficiency of a ruminant animal and compositions for this purpose containing them MERCK & CO. INC. (US) 1980-04-30 — — EP disclosed
Send feedback