SCHEMBL7842910

SCHEMBL7842910

CCOC(=O)[C@@H](CNC(=O)c1cc2n(n1)CCCN(Cc1ccc(C(=N)NO)cc1)C2=O)NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.56
ITGB3 P05106 2/20 0.55
ITGA2B P08514 2/20 0.55
TP53 P04637 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.48
THRB P10828 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL6441257 0.74 ITGB3 (0.75) LMNAITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL609722 0.71 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7834338 0.70 HPN (0.48) LMNASMN1; SMN2
SCHEMBL7422985 0.70 ITGB3 (0.78) LMNAITGB3ITGA2BTP53
SCHEMBL2521926 0.63 SMN1; SMN2 (0.80) LMNATP53SMN1; SMN2THRBPOLB
SCHEMBL7842067 0.63 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL12210642 0.61 PKM (0.61) LMNATP53SMN1; SMN2THRBPOLB
SCHEMBL12210575 0.61 SMN1; SMN2 (0.59) LMNATP53SMN1; SMN2THRBPOLB
SCHEMBL2534800 0.61 SMN1; SMN2 (0.62) LMNATP53SMN1; SMN2THRBPOLB
SCHEMBL12210685 0.61 HDAC6 (0.52) LMNATP53POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023295-A4 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO INC (US) 2001-01-24 EP disclosed
EP-1023295-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS Merck & Co., Inc. (US) 2000-08-02 EP disclosed
US-5981584-A USEFUL IN THE MANUFACTURE OF A MEDICAMENT FOR INHIBITING THE AGGREGATION OF BLOOD PLATELETS, INHIBITING ANGIOGENESIS, INHIBITING OSTEOCLAST MEDIATED BONE RESORPTION, PREVENTING PLATELET THROMBOSIS MERCK & CO., INC. (US) 1999-11-09 US disclosed
WO-1998034935-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO., INC. (US) 1998-08-13 WO disclosed