SCHEMBL8520947

SCHEMBL8520947

CNC(=O)NC(Cc1ccc(O)cc1)C(=O)NCc1ccc(OCC2CCCCC2)c(C(N)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRC P12931 17/20 0.53
YES1 P07947 2/20 0.52
KLKB1 P03952 1/20 0.41
CTSD P07339 1/20 0.41
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39

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
SCHEMBL8520942 1.00 SRC (0.53) SRCYES1KLKB1CTSDPARP15
SCHEMBL8419343 0.80 SRC (0.59) SRCYES1PARP15PARP10
SCHEMBL8809924 0.79 SRC (0.62) SRCYES1
SCHEMBL8421353 0.74 SRC (0.61) SRCYES1PARP15PARP10
SCHEMBL7653013 0.73 SRC (0.82) SRCYES1PARP15PARP10
SCHEMBL7653010 0.73 SRC (0.82) SRCYES1PARP15PARP10
SCHEMBL7653006 0.73 SRC (0.82) SRCYES1PARP15PARP10
SCHEMBL7654913 0.73 SRC (0.82) SRCYES1PARP15PARP10
SCHEMBL14582815 0.71 SRC (0.54) SRCYES1PARP15PARP10
SCHEMBL8419506 0.69 SRC (0.85) SRCYES1

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-5922697-A Compounds, compositions and methods for inhibiting the binding of proteins containing an SH2 domain to cognate phosphorylated proteins WARNER-LAMBERT COMPANY (US) 1999-07-13 US disclosed