SCHEMBL7339495

SCHEMBL7339495

CCOC(=O)CC(NC(=O)CNC(=O)c1cccc(NC(=N)N)c1)c1cc(OCC)cc(OCC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
PLAU P00749 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.41
NR1H4 Q96RI1 1/20 0.41
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 2/20 0.39
ACACB O00763 1/20 0.39
ITGB3 P05106 2/20 0.39
ITGB1 P05556 2/20 0.39
ITGAV P06756 2/20 0.39
ITGA5 P08648 2/20 0.39
ITGB5 P18084 2/20 0.39
ITGB6 P18564 2/20 0.39
ITGB8 P26012 2/20 0.39
ITGA8 P53708 2/20 0.39
F7 P08709 4/20 0.38
GPR139 Q6DWJ6 3/20 0.38

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
SCHEMBL7338356 0.93 SMN1; SMN2 (0.44) KMT2AMEN1SMN1; SMN2NPC1LMNA
SCHEMBL7345189 0.92 F2 (0.42) KMT2AMEN1PLAUITGB3F7
SCHEMBL6780563 0.91 ITGB3 (0.46) KMT2AMEN1PLAUSMN1; SMN2NPC1
SCHEMBL7341726 0.91 GPR139 (0.42) KMT2AMEN1LMNAITGB3ITGB1
SCHEMBL3839471 0.90 GPR139 (0.47) KMT2AMEN1ITGB3ITGB1ITGAV
SCHEMBL7836849 0.89 PKM (0.44) KMT2APLAUSMN1; SMN2NR1H4LMNA
SCHEMBL7346550 0.87 ITGB3 (0.40) KMT2AMEN1ITGB3ITGB1ITGAV
SCHEMBL7835622 0.87 ITGB3 (0.42) KMT2AMEN1ITGB3ITGB1ITGAV
SCHEMBL7340341 0.87 F7 (0.41) KMT2AMEN1SMN1; SMN2LMNAITGB3
SCHEMBL7838264 0.87 ITGB3 (0.51) ITGB3ITGB1ITGAVITGA5ITGB5

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-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP claimed
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP claimed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO claimed