SCHEMBL7864274

SCHEMBL7864274

N=C(N)Nc1cccc(C(=O)NCc2cccc(C(CC(=O)O)c3cc(F)cc(F)c3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
MAPK1 P28482 1/20 0.42
SENP1 Q9P0U3 4/20 0.41
ALDH1A1 P00352 2/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
ACKR3 P25106 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SENP2 Q9HC62 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AURKA O14965 1/20 0.39
PPARG P37231 1/20 0.39
ALOX5 P09917 1/20 0.39
EPHX2 P34913 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
SCHEMBL7863288 0.91 SIRT2 (0.48) LMNATP53MAPTSIRT2MAPK1
SCHEMBL7864256 0.88 MEN1 (0.41) LMNAMAPTITGB3HTT
SCHEMBL7864322 0.86 AURKA (0.41) LMNATP53MAPTSIRT2MAPK1
SCHEMBL7856464 0.84 TP53 (0.49) LMNATP53SIRT2MAPK1SENP1
SCHEMBL7862019 0.83 LMNA (0.45) LMNATP53MAPTSIRT2MAPK1
SCHEMBL7864172 0.83 TP53 (0.46) LMNATP53SIRT2MAPK1SENP1
SCHEMBL7862015 0.82 MAPT (0.51) LMNATP53MAPTSIRT2MAPK1
SCHEMBL7864169 0.80 F10 (0.48) LMNAMAPTSIRT2MAPK1SENP1
SCHEMBL7861969 0.79 MAPK1 (0.52) LMNAMAPTSIRT2MAPK1SENP1
SCHEMBL7856433 0.78 ITGB3 (0.54) MAPTSIRT2ITGB3ITGA2BHTT

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