SCHEMBL7498232

SCHEMBL7498232

CCC(=Cc1ccc(NC(=O)c2cccc(NC(=N)N)c2)cc1C#N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
CHUK O15111 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
ROCK2 O75116 1/20 0.39
PAK4 O96013 1/20 0.39

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
SCHEMBL7498241 0.89 KMT2A (0.39) NR1H4KMT2ANPC1MEN1KCNK3
SCHEMBL7572346 0.84 ITGB3 (0.50) KMT2ANPC1MEN1KCNK3KCNK9
SCHEMBL8520753 0.83 KMT2A (0.48) NR1H4KMT2ANPC1MEN1KCNK3
SCHEMBL8296314 0.81 ITGB3 (0.51) KMT2APOLBALDH1A1MAPTITGB3
SCHEMBL7495912 0.81 ITGB3 (0.51) KMT2APOLBALDH1A1MAPTITGB3
SCHEMBL7495906 0.81 ITGB3 (0.51) KMT2APOLBALDH1A1MAPTITGB3
SCHEMBL7503257 0.80 SMN1; SMN2 (0.42) NR1H4KMT2ANPC1MEN1POLB
SCHEMBL7503254 0.80 SMN1; SMN2 (0.42) NR1H4KMT2ANPC1MEN1POLB
SCHEMBL8520757 0.72 KMT2A (0.51) NR1H4KMT2ANPC1MEN1KCNK3
SCHEMBL8520762 0.71 KMT2A (0.44) NR1H4KMT2ANPC1MEN1KCNK3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894084-B1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-06-26 EP disclosed
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