SCHEMBL7981063

SCHEMBL7981063

CC(=O)N([C@H](CC(=O)O)c1cccnc1)N1C(=O)N[C@](C)(c2ccc(C(=N)N)cc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.51
ITGA2B P08514 11/20 0.51
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
F7 P08709 2/20 0.34
ITGAV P06756 2/20 0.33
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
F3 P13726 1/20 0.32
PRSS3 P35030 1/20 0.32

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 SCHEMBL8488362 0.90 ITGB3 (0.56) ITGB3ITGA2BKMT2AMEN1F10
Hydrochloric Acid SCHEMBL7969557 0.90 ITGB3 (0.56) ITGB3ITGA2BKMT2AMEN1F10
Hydrochloric Acid SCHEMBL7986512 0.90 ITGB3 (0.56) ITGB3ITGA2BKMT2AMEN1F10
Hydrochloric Acid SCHEMBL8489120 0.90 ITGB3 (0.56) ITGB3ITGA2BKMT2AMEN1F10
SCHEMBL7981888 0.87 ITGB3 (0.50) ITGB3ITGA2BKMT2AMEN1
SCHEMBL7983582 0.86 ITGB3 (0.53) ITGB3ITGA2BKMT2AMEN1F2
SCHEMBL8489046 0.86 ITGB3 (0.52) ITGB3ITGA2BKMT2AMEN1
SCHEMBL7985139 0.86 ITGB3 (0.49) ITGB3ITGA2BKMT2AMEN1F7
SCHEMBL7451076 0.85 ITGB3 (0.35) ITGB3ITGA2BKMT2AITGAV
SCHEMBL7983505 0.84 ITGB3 (0.52) ITGB3ITGA2BKMT2AMEN1F7

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-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
US-5981492-A ADMINISTERED TO THE PATIENT TO INHIBIT THROMBOCYTE AGGREGATION, THE METASTASIZATION OF CARCINOMA CELLS, THE BINDING OF OSTEOCLASTS TO THE BONE SURFACE, OR FOR THE TREATMENT OF THROMBOSES HOECHST AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed