SCHEMBL7862019

SCHEMBL7862019

CCC(CC(=O)O)c1cccc(CNC(=O)c2cccc(NC(=N)N)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
BCHE P06276 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HSD17B10 Q99714 1/20 0.43
SENP1 Q9P0U3 3/20 0.42
F10 P00742 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
ROCK2 O75116 1/20 0.41
PARP1 P09874 1/20 0.41

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
SCHEMBL7856520 0.89 F10 (0.51) LMNAMAPK1ALDH1A1HPGDHTT
SCHEMBL7856464 0.88 TP53 (0.49) LMNAMAPK1ALDH1A1HPGDHTT
SCHEMBL7863288 0.87 SIRT2 (0.48) LMNAMAPK1ALDH1A1HPGDHTT
SCHEMBL7856467 0.86 MEN1 (0.42) LMNAALDH1A1HTTBCHEPOLB
SCHEMBL7864172 0.86 TP53 (0.46) LMNAMAPK1ALDH1A1HPGDHTT
SCHEMBL7856523 0.86 ALDH1A1 (0.48) LMNAALDH1A1HPGDHTTF10
SCHEMBL7864751 0.85 SIRT2 (0.41) LMNAMAPK1ALDH1A1HPGDHTT
SCHEMBL7864274 0.83 LMNA (0.43) LMNAMAPK1ALDH1A1HPGDHTT
SCHEMBL7862015 0.82 MAPT (0.51) LMNAMAPK1ALDH1A1HPGDHTT
SCHEMBL7864169 0.81 F10 (0.48) LMNAMAPK1ALDH1A1HPGDHTT

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