SCHEMBL9028890

SCHEMBL9028890

N=C(N)c1ccccc1N1CCCC(CC(=O)NC(Cc2ccsc2)C(=O)O)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2RA P01589 1/20 0.36
ALB P02768 1/20 0.36
IL2 P60568 1/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
AVPR2 P30518 2/20 0.34
AVPR1A P37288 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
XIAP P98170 1/20 0.34
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
ITGB1 P05556 1/20 0.33
ITGA5 P08648 1/20 0.33
MME P08473 1/20 0.33

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
SCHEMBL9034310 0.91 ALDH1A1 (0.42) IL2RAALBIL2ALDH1A1HSD17B10
SCHEMBL7412383 0.77 F10 (0.46) IL2RAALBIL2ALDH1A1HSD17B10
SCHEMBL9028509 0.73 ITGB3 (0.43) IL2RAALBIL2AVPR2AVPR1A
SCHEMBL9028542 0.71 ITGB3 (0.45) ALDH1A1HSD17B10ITGB3ITGA2BYAP1
SCHEMBL8140283 0.71 F9 (0.38) ITGB3ITGA2B
SCHEMBL27352808 0.71 F9 (0.38) ITGB3ITGA2B
SCHEMBL9034441 0.68 ALDH1A1 (0.41) ALDH1A1HSD17B10ITGB1ITGA5YAP1
SCHEMBL7424212 0.68 ITGB3 (0.42) ITGB3ITGA2B
SCHEMBL7423343 0.68 ITGB3 (0.42) ITGB3ITGA2B
SCHEMBL7420888 0.68 TP53 (0.45) IL2RAALBIL2ALDH1A1ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691953-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-01-17 EP claimed