SCHEMBL8948975

SCHEMBL8948975

CN(CCCC(=O)O)C(=O)c1ncc(-c2ccc(C(=N)N)cc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.50
ITGA2B P08514 7/20 0.50
TMPRSS15 P98073 8/20 0.48
NQO2 P16083 2/20 0.40
MCHR1 Q99705 1/20 0.38

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 SCHEMBL8948992 0.87 TMPRSS15 (0.51) ITGB3ITGA2BTMPRSS15
SCHEMBL8886607 0.86 ITGB3 (0.57) ITGB3ITGA2BTMPRSS15NQO2MCHR1
SCHEMBL8949352 0.76 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL8949087 0.75 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL8887758 0.73 TMPRSS15 (0.50) ITGB3ITGA2BTMPRSS15MCHR1
SCHEMBL8885986 0.72 GAA (0.55) ITGB3ITGA2BTMPRSS15
SCHEMBL8949046 0.70 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL8886144 0.70 ITGB3 (0.54) ITGB3ITGA2BTMPRSS15NQO2
SCHEMBL8975393 0.70 WDR5 (0.55) NQO2
SCHEMBL8887767 0.69 ITGB3 (0.47) ITGB3ITGA2BTMPRSS15NQO2

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
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