SCHEMBL7864322

SCHEMBL7864322

NN=CNc1cccc(C(=O)NCc2cccc(C(CC(=O)O)c3cc(F)cc(F)c3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
CFD P00746 1/20 0.39
SENP1 Q9P0U3 4/20 0.39
SENP2 Q9HC62 1/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
PPARG P37231 1/20 0.39
ALOX5 P09917 1/20 0.38
EPHX2 P34913 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA5 P08648 1/20 0.38
MDM2 Q00987 1/20 0.38
ACKR3 P25106 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL7864712 0.91 SIRT2 (0.45) SIRT2CFDSENP1SENP2LMNA
SCHEMBL7864633 0.88 MAPT (0.41) LMNAMAPTITGB3ITGB1ITGAV
SCHEMBL7864274 0.86 LMNA (0.43) AURKASIRT2SENP1SENP2TP53
SCHEMBL7856468 0.85 TP53 (0.46) SIRT2CFDSENP1SENP2TP53
SCHEMBL7864178 0.83 TP53 (0.43) SIRT2CFDSENP1SENP2TP53
SCHEMBL7864751 0.83 SIRT2 (0.41) SIRT2CFDSENP1SENP2TP53
SCHEMBL7864771 0.82 MAPT (0.46) SIRT2SENP1TP53LMNAMAPT
SCHEMBL7856483 0.80 SIRT2 (0.48) SIRT2CFDSENP1SENP2LMNA
SCHEMBL7864788 0.78 SIRT2 (0.44) SIRT2CFDSENP1SENP2LMNA
SCHEMBL7856525 0.77 PPARG (0.59) SIRT2CFDSENP1SENP2LMNA

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-0889877-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 EP claimed
EP-0889877-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 EP disclosed