SCHEMBL7304057

SCHEMBL7304057

N=C(N)c1ccc(C(=O)NCC(=O)c2ccc(CCC(=O)O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.56
ITGA2B P08514 11/20 0.56
F2 P00734 1/20 0.53
F10 P00742 1/20 0.53
EPHX2 P34913 2/20 0.50
NR1H4 Q96RI1 1/20 0.50
ST14 Q9Y5Y6 1/20 0.50
PRSS1 P07477 2/20 0.48
TMPRSS15 P98073 2/20 0.48
PPARG P37231 1/20 0.46
TPSAB1 Q15661 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 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
Hydrochloric Acid SCHEMBL9271862 0.99 ITGB3 (0.55) ITGB3ITGA2BF2F10EPHX2
SCHEMBL7297516 0.86 ST14 (0.64) ITGB3ITGA2BF2EPHX2NR1H4
SCHEMBL7296789 0.86 ITGB3 (0.50) ITGB3ITGA2BF2F10ST14
Hydrochloric Acid SCHEMBL9269810 0.85 ITGB3 (0.49) ITGB3ITGA2BF2F10ST14
SCHEMBL7118598 0.84 ITGB3 (0.74) ITGB3ITGA2BF2F10ST14
SCHEMBL7296103 0.80 ITGB3 (0.52) ITGB3ITGA2BF2F10EPHX2
SCHEMBL7294121 0.78 ITGB3 (0.67) ITGB3ITGA2BF2F10EPHX2
SCHEMBL7373439 0.76 PPARG (0.70) ITGB3ITGA2BF2F10EPHX2
SCHEMBL7380405 0.76 F10 (0.58) ITGB3ITGA2BF2F10ST14
SCHEMBL9335737 0.75 TPSAB1 (0.67) ITGB3ITGA2BF2EPHX2NR1H4

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-0381033-B1 Carboxylic-acid and sulphonic-acid amides HOFFMANN LA ROCHE (CH) 1994-03-23 EP claimed
US-5256812-A Antitumor agents, cardiovascular disorders; having amidino or guandino groups HOFFMANN-LA ROCHE INC. (US) 1993-10-26 US claimed