SCHEMBL7862015

SCHEMBL7862015

COc1ccccc1C(CC(=O)O)c1cccc(CNC(=O)c2cccc(NC(=N)N)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
ROCK2 O75116 6/20 0.45
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
SENP1 Q9P0U3 4/20 0.43
CYP3A4 P08684 2/20 0.43
MMP13 P45452 1/20 0.43
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SENP5 Q96HI0 2/20 0.42
SENP2 Q9HC62 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
PRKG1 Q13976 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
SCHEMBL7863288 0.88 SIRT2 (0.48) MAPTLMNAMAPK1SENP1TP53
SCHEMBL7864771 0.87 MAPT (0.46) MAPTROCK2LMNASENP1MMP13
SCHEMBL7856464 0.83 TP53 (0.49) ROCK2LMNAMAPK1SENP1TP53
SCHEMBL7864274 0.82 LMNA (0.43) MAPTLMNAMAPK1SENP1TP53
SCHEMBL7862019 0.82 LMNA (0.45) MAPTROCK2LMNAMAPK1SENP1
SCHEMBL7864172 0.82 TP53 (0.46) ROCK2LMNAMAPK1SENP1TP53
SCHEMBL7863196 0.81 MAPT (0.50) MAPTLMNAMAPK1TP53SIRT2
SCHEMBL7864169 0.80 F10 (0.48) MAPTLMNAMAPK1SENP1L3MBTL1
SCHEMBL4161757 0.76 SENP1 (0.59) MAPTLMNAMAPK1SENP1SENP5
SCHEMBL7861969 0.76 MAPK1 (0.52) MAPTROCK2LMNAMAPK1SENP1

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