SCHEMBL7362794

SCHEMBL7362794

CCOC(=O)CC(C)N1C(=O)c2cc(CCc3cc(C#N)cs3)ccc2N(Cc2ccccc2)C(=O)C1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
PKM P14618 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MDM2 Q00987 11/20 0.34
TP53 P04637 2/20 0.32
LMNA P02545 3/20 0.32
TRPC5 Q9UL62 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7357418 0.92 MAPT (0.35) MAPTPKMALDH1A1MAPK1NPSR1
SCHEMBL7357388 0.91 MDM2 (0.33) ALDH1A1MDM2TP53
SCHEMBL7355407 0.90 MDM2 (0.33) ALDH1A1MDM2TP53
SCHEMBL7323174 0.90 MAPT (0.38) MAPTPKMALDH1A1MAPK1NPSR1
SCHEMBL7354728 0.90 ELANE (0.33) MAPTMDM2TP53
SCHEMBL7329383 0.84 MAPT (0.38) MAPTPKMALDH1A1MAPK1NPSR1
SCHEMBL7357140 0.84 MAPT (0.37) MAPTPKMALDH1A1MAPK1NPSR1
SCHEMBL7331084 0.84 MDM2 (0.41) MAPTPKMALDH1A1MAPK1NPSR1
SCHEMBL7356241 0.83 MDM2 (0.32) ALDH1A1MDM2TP53
SCHEMBL7354809 0.83 ITGB3 (0.34) MDM2TP53

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
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed