SCHEMBL7450451

SCHEMBL7450451

CCCCCC(=O)NC(CNC(=O)CN1C(=O)NC(C)(c2ccc(C(=N)N)cc2)C1=O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.56
ITGA2B P08514 2/20 0.56
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL7969570 1.00 ITGB3 (0.56) ITGB3ITGA2BKMT2AMEN1MAPK1
SCHEMBL7443843 0.86 ITGB3 (0.53) ITGB3ITGA2BKMT2AMEN1MAPK1
SCHEMBL7983182 0.86 ITGB3 (0.53) ITGB3ITGA2BKMT2AMEN1MAPK1
SCHEMBL7969576 0.85 MAPK1 (0.43) ITGB3ITGA2BKMT2AMEN1MAPK1
SCHEMBL7986508 0.84 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL7439842 0.84 ITGB3 (0.39) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7982933 0.81 ITGB3 (0.61) ITGB3ITGA2BKMT2AMEN1MAPK1
Hydrochloric Acid SCHEMBL7983748 0.81 ITGB3 (0.61) ITGB3ITGA2BKMT2AMEN1MAPK1
SCHEMBL7983179 0.81 ITGB3 (0.58) ITGB3ITGA2BKMT2AMEN1
SCHEMBL7983192 0.81 ITGB3 (0.58) ITGB3ITGA2BKMT2AMEN1

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-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
WO-1995014008-A1 SUBSTITUTED 5-RING HETEROCYCLES, THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1995-05-26 WO disclosed