SCHEMBL7414329

SCHEMBL7414329

Cc1cc(CCC(=O)OC(C)(C)C)ccc1NC(=O)c1cccc(NC(=N)N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
NR1H4 Q96RI1 3/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 1/20 0.40
F11 P03951 2/20 0.40
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
CHEK2 O96017 1/20 0.39
CDK1 P06493 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39
FGFR3 P22607 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
SCHEMBL7379453 0.91 ITGB3 (0.41) ITGB3ITGA2BSMN1; SMN2NR1H4LMNA
SCHEMBL7414335 0.86 NR1H4 (0.42) ITGB3ITGA2BSMN1; SMN2NR1H4LMNA
SCHEMBL7376111 0.85 MAPT (0.38) ITGB3ITGA2BSMN1; SMN2NR1H4LMNA
SCHEMBL7453096 0.83 LMNA (0.48) LMNARAB9AMAPTKMT2AMEN1
SCHEMBL7379459 0.77 PTGS2 (0.39) ITGB3ITGA2BNR1H4LMNAJAK3
SCHEMBL7377969 0.76 KMT2A (0.51) ITGB3ITGA2BSMN1; SMN2NR1H4LMNA
SCHEMBL7373935 0.76 NR1H4 (0.42) ITGB3ITGA2BSMN1; SMN2NR1H4JAK3
SCHEMBL7378120 0.75 ITGB3 (0.57) ITGB3ITGA2BSMN1; SMN2NR1H4JAK3
SCHEMBL7378327 0.73 ITGB3 (0.54) ITGB3ITGA2BNR1H4PPARGPPARA
SCHEMBL7379927 0.72 KMT2A (0.45) ITGB3ITGA2BSMN1; SMN2NR1H4LMNA

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-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP disclosed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed