SCHEMBL8520757

SCHEMBL8520757

CCC(=CC(=O)O)c1ccc(NC(=O)c2cccc(NC(=N)N)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 4/20 0.49
NPC1 O15118 1/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
HPSE Q9Y251 1/20 0.46
PARP1 P09874 1/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
PLAU P00749 4/20 0.45
F2 P00734 2/20 0.45
PLG P00747 2/20 0.45
PLAT P00750 2/20 0.45
KLKB1 P03952 2/20 0.45
PRSS1 P07477 2/20 0.45
KLK1 P06870 1/20 0.45
PLK4 O00444 1/20 0.44
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 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
SCHEMBL8520925 0.90 PLAU (0.49) POLBITGB3ITGA2BPLAUPLG
SCHEMBL7505503 0.85 KMT2A (0.57) KMT2APOLBMEN1NPC1ITGB3
SCHEMBL7505498 0.85 KMT2A (0.57) KMT2APOLBMEN1NPC1ITGB3
SCHEMBL7503148 0.84 KMT2A (0.55) KMT2APOLBMEN1NPC1ITGB3
SCHEMBL7503147 0.84 KMT2A (0.55) KMT2APOLBMEN1NPC1ITGB3
SCHEMBL7499925 0.83 LMNA (0.47) PARP1ROCK2HTTALDH1A1F10
SCHEMBL9303751 0.79 ITGB3 (0.62) KMT2APOLBMEN1ITGB3ITGA2B
SCHEMBL8520753 0.79 KMT2A (0.48) KMT2APOLBMEN1NPC1ITGB3
SCHEMBL7506884 0.77 ITGB3 (0.66) KMT2APOLBNPC1ITGB3ITGA2B
SCHEMBL7508818 0.77 ITGB3 (0.66) KMT2APOLBNPC1ITGB3ITGA2B

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-0894084-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-02-03 EP disclosed
WO-1997036860-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed