SCHEMBL7339148

SCHEMBL7339148

CCOC(=O)CC(NC(=O)CNC(=O)c1cccc(NC(=N)N)c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 4/20 0.44
GPR139 Q6DWJ6 6/20 0.43
F2 P00734 4/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 1/20 0.39
ITGB1 P05556 2/20 0.39
ITGA5 P08648 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
ITGB5 P18084 1/20 0.39
ITGB6 P18564 1/20 0.39
ITGB8 P26012 1/20 0.39
ITGA8 P53708 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 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
SCHEMBL7835622 0.92 ITGB3 (0.42) F7GPR139F2MEN1KMT2A
SCHEMBL7341087 0.91 GPR139 (0.48) F7GPR139F2MEN1KMT2A
SCHEMBL3839471 0.89 GPR139 (0.47) GPR139F2MEN1KMT2AATM
SCHEMBL7340341 0.88 F7 (0.41) F7GPR139F2MEN1KMT2A
SCHEMBL7341726 0.88 GPR139 (0.42) F7GPR139F2MEN1KMT2A
SCHEMBL6778074 0.88 GPR139 (0.47) F7GPR139MEN1KMT2AATM
SCHEMBL7344055 0.87 F7 (0.46) F7GPR139F2ALDH1A1SMN1; SMN2
SCHEMBL7339495 0.86 KMT2A (0.44) F7GPR139F2MEN1KMT2A
SCHEMBL7338356 0.86 SMN1; SMN2 (0.44) F7GPR139F2MEN1KMT2A
SCHEMBL7823058 0.85 RAB9A (0.50) F7F2MEN1KMT2AITGB3

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 5 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-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