SCHEMBL7340341

SCHEMBL7340341

CCOC(=O)CC(NC(=O)CNC(=O)c1cccc(NC(=N)N)c1)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F7 P08709 6/20 0.41
F2 P00734 6/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
F10 P00742 1/20 0.39
GPR139 Q6DWJ6 1/20 0.39
ITGB3 P05106 2/20 0.39
ITGAV P06756 2/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA5 P08648 1/20 0.38
ITGB5 P18084 1/20 0.38
ITGB6 P18564 1/20 0.38
ITGB8 P26012 1/20 0.38
ITGA8 P53708 1/20 0.38
BCHE P06276 1/20 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
SCHEMBL7344055 0.92 F7 (0.46) F7F2SMN1; SMN2F10GPR139
SCHEMBL3839471 0.92 GPR139 (0.47) F2KMT2AMEN1F10GPR139
SCHEMBL7346550 0.90 ITGB3 (0.40) F7F2KMT2AMEN1GPR139
SCHEMBL7341726 0.90 GPR139 (0.42) F7F2KMT2AMEN1F10
SCHEMBL7834703 0.88 ITGB3 (0.48) F7F2SMN1; SMN2ITGB3ITGAV
SCHEMBL7339148 0.88 F7 (0.44) F7F2KMT2AMEN1SMN1; SMN2
SCHEMBL16918488 0.88 ITGB3 (0.45) F7F2SMN1; SMN2GPR139ITGB3
SCHEMBL7823382 0.88 MAPT (0.41) SMN1; SMN2ITGB3ITGAVLMNANPSR1
SCHEMBL7340065 0.87 F7 (0.38) F7F2KMT2AMEN1POLB
SCHEMBL6779560 0.87 ITGB3 (0.50) F7F2ITGB3ITGAVITGB1

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 8 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
CN-1201454-A Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 1998-12-09 CN 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
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP disclosed
US-6028223-A AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS G. D. SEARLE & CO. (US) 2000-02-22 US disclosed
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 disclosed
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 disclosed