SCHEMBL9115992

SCHEMBL9115992

O=C(O)Cc1ccc2c(c1)NC(=O)[C@H](NC(=O)OCc1ccccc1)N=C2c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 1/20 0.51
CCKBR P32239 11/20 0.50
CCKAR P32238 7/20 0.50
BRD4 O60885 4/20 0.50
BRD2 P25440 4/20 0.50
BRD3 Q15059 4/20 0.50

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
SCHEMBL1574481 0.87 BRD4 (0.62) SENP1CCKBRCCKARBRD4BRD2
SCHEMBL1574479 0.87 BRD4 (0.62) SENP1CCKBRCCKARBRD4BRD2
SCHEMBL8711252 0.87 CCKBR (0.65) SENP1CCKBRCCKAR
SCHEMBL641969 0.87 CCKBR (0.65) SENP1CCKBRCCKAR
SCHEMBL1574399 0.87 CCKBR (0.65) SENP1CCKBRCCKAR
Water SCHEMBL9229371 0.86 CCKBR (0.64) SENP1CCKBRCCKAR
SCHEMBL11961545 0.83 CCKBR (0.52) SENP1CCKBRCCKARBRD4BRD2
SCHEMBL644328 0.83 CCKBR (0.62) CCKBRCCKARBRD4BRD2BRD3
SCHEMBL1574149 0.83 CCKBR (0.62) CCKBRCCKARBRD4BRD2BRD3
SCHEMBL17051633 0.82 SENP1 (0.49) SENP1CCKBRCCKARBRD4BRD2

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
WO-1995025118-A2 INHIBITORS OF SH2 DOMAIN INTERACTIONS TRUSTEES OF TUFTS UNIVERSITY (US) 1995-09-21 WO disclosed