SCHEMBL8500073

SCHEMBL8500073

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
BCHE P06276 8/20 0.47
ITGB3 P05106 3/20 0.46
ITGA2B P08514 3/20 0.46
MAPK1 P28482 1/20 0.43
PPARG P37231 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ITGAV P06756 2/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7377637 0.90 MAPT (0.55) MAPTLMNASMN1; SMN2BCHEITGB3
SCHEMBL7863172 0.89 MAPT (0.51) MAPTLMNASMN1; SMN2BCHEMAPK1
SCHEMBL7856497 0.88 MAPT (0.50) MAPTLMNASMN1; SMN2BCHEITGB3
SCHEMBL8499180 0.87 MAPT (0.47) MAPTLMNASMN1; SMN2BCHEITGB3
SCHEMBL7450519 0.82 PPARG (0.65) LMNAITGB3ITGA2BMAPK1PPARG
SCHEMBL7856521 0.81 PPARG (0.60) MAPTLMNASMN1; SMN2BCHEITGB3
SCHEMBL8500043 0.81 MAPT (0.57) MAPTLMNASMN1; SMN2BCHEPPARG
SCHEMBL7378623 0.81 SMN1; SMN2 (0.58) SMN1; SMN2ITGB3ITGA2BITGAVKMT2A
SCHEMBL7339409 0.79 ITGB3 (0.41) SMN1; SMN2ITGB3ITGA2BITGAVHTT
SCHEMBL7377063 0.79 ITGB3 (0.47) MAPTLMNASMN1; SMN2ITGB3ITGA2B

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