SCHEMBL8939417

SCHEMBL8939417

O=C(O)CN1C(=O)[C@@H](NC(=O)OCc2ccccc2)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 3/20 0.79
CCKBR P32239 8/20 0.64
BRD4 O60885 6/20 0.62
BRD2 P25440 6/20 0.62
BRD3 Q15059 6/20 0.62
SCN9A Q15858 1/20 0.60
CCKAR P32238 2/20 0.59
OXTR P30559 1/20 0.54

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
SCHEMBL8711261 1.00 SENP1 (0.79) SENP1CCKBRBRD4BRD2BRD3
SCHEMBL8711263 1.00 SENP1 (0.79) SENP1CCKBRBRD4BRD2BRD3
SCHEMBL9865718 0.92 SENP1 (0.76) SENP1CCKBRBRD4BRD2BRD3
SCHEMBL4413832 0.91 SENP1 (0.75) SENP1CCKBRBRD4BRD2BRD3
SCHEMBL8939498 0.90 SENP1 (0.73) SENP1CCKBRBRD4BRD2BRD3
SCHEMBL1574634 0.90 SENP1 (0.73) SENP1CCKBRBRD4BRD2BRD3
SCHEMBL1574343 0.90 SENP1 (0.75) SENP1CCKBRBRD4BRD2BRD3
SCHEMBL1574340 0.90 SENP1 (0.75) SENP1CCKBRBRD4BRD2BRD3
SCHEMBL9868905 0.90 SENP1 (0.73) SENP1CCKBRBRD4BRD2BRD3
SCHEMBL6940307 0.90 SENP1 (0.73) SENP1CCKBRBRD4BRD2BRD3

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
US-5580979-A Phosphotyrosine peptidomimetics for inhibiting SH2 domain interactions TRUSTEES OF TUFTS UNIVERSITY (US) 1996-12-03 US disclosed