SCHEMBL7338356

SCHEMBL7338356

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
GPR139 Q6DWJ6 3/20 0.44
F2 P00734 1/20 0.43
F7 P08709 1/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 2/20 0.43
HTT P42858 1/20 0.43
ROCK2 O75116 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
MITF O75030 1/20 0.39
LMNA P02545 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
SCHEMBL7339495 0.93 KMT2A (0.44) SMN1; SMN2GPR139F2F7NPC1
SCHEMBL7345189 0.92 F2 (0.42) GPR139F2F7MEN1KMT2A
SCHEMBL7341726 0.91 GPR139 (0.42) GPR139F2F7MEN1KMT2A
SCHEMBL6777988 0.90 GPR139 (0.49) SMN1; SMN2GPR139F2F7HTT
SCHEMBL3839471 0.90 GPR139 (0.47) GPR139F2MEN1KMT2A
SCHEMBL7836849 0.88 PKM (0.44) SMN1; SMN2GPR139F2F7MAPK1
SCHEMBL7835622 0.87 ITGB3 (0.42) GPR139F2F7MEN1KMT2A
SCHEMBL7346550 0.87 ITGB3 (0.40) GPR139F2F7MEN1KMT2A
SCHEMBL7340341 0.87 F7 (0.41) SMN1; SMN2GPR139F2F7MEN1
SCHEMBL7838264 0.87 ITGB3 (0.51) GPR139HTTL3MBTL1

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-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