SCHEMBL8949239

SCHEMBL8949239

Cn1nc(-c2ccc(C(=N)N)cc2)cc(C(=O)NCCC(=O)O)c1=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.45
ITGA2B P08514 16/20 0.45
ITGB2 P05107 1/20 0.42
ITGAM P11215 1/20 0.42
GCGR P47871 2/20 0.40
F10 P00742 1/20 0.40
NME4 O00746 1/20 0.40
GCDH Q92947 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40

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
SCHEMBL8949063 0.94 ITGB3 (0.47) ITGB3ITGA2BGCGRF10
SCHEMBL8949033 0.93 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL8949139 0.90 KDM5B (0.39) ITGB3ITGA2BF10
SCHEMBL8949188 0.87 ALDH1A1 (0.38) ITGB3ITGA2BF10
SCHEMBL8949207 0.86 NR1H4 (0.41) ITGB3ITGA2BF10
SCHEMBL8949398 0.86 ITGB3 (0.40) ITGB3ITGA2BGCGR
SCHEMBL8948999 0.85 ITGB3 (0.41) ITGB3ITGA2BF10
SCHEMBL8949379 0.85 HPGD (0.38) ITGB3ITGA2BF10
Hydrochloric Acid SCHEMBL8949124 0.84 HDAC3 (0.39) ITGB3ITGA2BF10
SCHEMBL8949233 0.84 HPGD (0.40) ITGB3ITGA2BF10

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
US-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 US disclosed
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US disclosed
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP disclosed