SCHEMBL7983182

SCHEMBL7983182

CCCCS(=O)(=O)N[C@@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(C(=N)N)cc2)C1=O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.53
ITGA2B P08514 10/20 0.53
ITGAV P06756 1/20 0.51
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43

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
SCHEMBL7443843 1.00 ITGB3 (0.53) ITGB3ITGA2BITGAVMAPK1HSD17B10
SCHEMBL7983190 0.86 ITGB3 (0.52) ITGB3ITGA2BITGAVMAPK1HSD17B10
SCHEMBL7969570 0.86 ITGB3 (0.56) ITGB3ITGA2BMAPK1HSD17B10KMT2A
SCHEMBL7450451 0.86 ITGB3 (0.56) ITGB3ITGA2BMAPK1HSD17B10KMT2A
SCHEMBL7439932 0.85 ITGB3 (0.48) ITGB3ITGA2BITGAV
SCHEMBL7982801 0.85 ITGB3 (0.48) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL7983748 0.81 ITGB3 (0.61) ITGB3ITGA2BMAPK1HSD17B10KMT2A
Hydrochloric Acid SCHEMBL7982933 0.81 ITGB3 (0.61) ITGB3ITGA2BMAPK1HSD17B10KMT2A
SCHEMBL7983176 0.80 ITGB3 (0.44) ITGB3ITGA2BITGAV
SCHEMBL7983179 0.77 ITGB3 (0.58) ITGB3ITGA2BITGAVKMT2AMEN1

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
US-6191282-B1 DERIVATIVES OF 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC RING IS USED AS ANTICARCINOGENIC AGENT AND ANTICOAGULANT HOECHST MARION ROUSSEL (DE) 2001-02-20 US disclosed