SCHEMBL8499180

SCHEMBL8499180

Cc1c(CCC(=O)O)cccc1CNC(=O)c1cccc(NC(N)=NC(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
BCHE P06276 9/20 0.45
ITGB3 P05106 2/20 0.43
ITGAV P06756 2/20 0.43
ITGA2B P08514 2/20 0.43
MAPK1 P28482 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PPARG P37231 1/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL8500073 0.87 MAPT (0.49) MAPTLMNASMN1; SMN2BCHEITGB3
SCHEMBL8500043 0.79 MAPT (0.57) MAPTLMNASMN1; SMN2BCHEHDAC6
SCHEMBL8496894 0.77 MAPT (0.55) MAPTLMNASMN1; SMN2BCHEHDAC6
SCHEMBL7377637 0.77 MAPT (0.55) MAPTLMNASMN1; SMN2BCHEITGB3
SCHEMBL7864782 0.76 MAPT (0.52) MAPTLMNASMN1; SMN2BCHEITGB3
SCHEMBL8498509 0.76 MAPT (0.41) MAPTLMNASMN1; SMN2BCHEITGB3
SCHEMBL7863172 0.76 MAPT (0.51) MAPTLMNASMN1; SMN2BCHEMAPK1
SCHEMBL7856497 0.75 MAPT (0.50) MAPTLMNASMN1; SMN2BCHEITGB3
SCHEMBL7856412 0.73 TP53 (0.47) LMNABCHEITGB3ITGAVMAPK1
SCHEMBL7377645 0.72 BCHE (0.49) MAPTLMNASMN1; SMN2BCHEHDAC6

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-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1999-01-13 EP disclosed
WO-1997036862-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed