SCHEMBL8949398

SCHEMBL8949398

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.40
ITGA2B P08514 6/20 0.40
PRSS1 P07477 1/20 0.39
TMPRSS15 P98073 1/20 0.39
F2 P00734 2/20 0.39
CGAS Q8N884 1/20 0.38
PHGDH O43175 2/20 0.37
GCGR P47871 1/20 0.36
F7 P08709 3/20 0.36
EGLN1 Q9GZT9 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
KLKB1 P03952 1/20 0.35
F3 P13726 1/20 0.35

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 SCHEMBL8949365 0.89 F2 (0.39) ITGB3ITGA2BPRSS1F2F7
SCHEMBL8949239 0.86 ITGB3 (0.45) ITGB3ITGA2BGCGR
SCHEMBL8949128 0.85 PHGDH (0.35) ITGB3ITGA2BPRSS1TMPRSS15F2
SCHEMBL8949063 0.84 ITGB3 (0.47) ITGB3ITGA2BGCGR
SCHEMBL8949033 0.83 ITGB3 (0.51) ITGB3ITGA2BPOLB
SCHEMBL8949188 0.82 ALDH1A1 (0.38) ITGB3ITGA2BF2PHGDHEGLN1
SCHEMBL8949099 0.81 F10 (0.42) PRSS1F2PHGDHKLKB1
SCHEMBL8949139 0.80 KDM5B (0.39) ITGB3ITGA2BPRSS1TMPRSS15F2
Hydrochloric Acid SCHEMBL8949032 0.79 RXFP1 (0.37) ITGB3ITGA2BPRSS1TMPRSS15F2
SCHEMBL8949379 0.79 HPGD (0.38) ITGB3ITGA2BPHGDHKLKB1

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