SCHEMBL7863288

SCHEMBL7863288

N=C(N)Nc1cccc(C(=O)NCc2cccc(C(CC(=O)O)c3ccccc3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.48
MAPK1 P28482 2/20 0.47
LMNA P02545 2/20 0.47
SENP1 Q9P0U3 5/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
PPARG P37231 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SENP2 Q9HC62 1/20 0.45
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TPSAB1 Q15661 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
KMT2A Q03164 1/20 0.44
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44

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
SCHEMBL7864274 0.91 LMNA (0.43) SIRT2MAPK1LMNASENP1ALDH1A1
SCHEMBL7856464 0.89 TP53 (0.49) SIRT2MAPK1LMNASENP1ALDH1A1
SCHEMBL7862015 0.88 MAPT (0.51) SIRT2MAPK1LMNASENP1ALDH1A1
SCHEMBL7864169 0.88 F10 (0.48) SIRT2MAPK1LMNASENP1ALDH1A1
SCHEMBL7861969 0.87 MAPK1 (0.52) SIRT2MAPK1LMNASENP1ALDH1A1
SCHEMBL7864172 0.87 TP53 (0.46) SIRT2MAPK1LMNASENP1ALDH1A1
SCHEMBL7862019 0.87 LMNA (0.45) SIRT2MAPK1LMNASENP1ALDH1A1
SCHEMBL7856433 0.87 ITGB3 (0.54) SIRT2HTTRAB9ANPC1KMT2A
SCHEMBL7864712 0.84 SIRT2 (0.45) SIRT2MAPK1LMNASENP1ALDH1A1
SCHEMBL7863196 0.84 MAPT (0.50) SIRT2MAPK1LMNAHDAC6ITGB3

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