SCHEMBL7835622

SCHEMBL7835622

CCOC(=O)CC(NC(=O)CNC(=O)c1cccc(NC(=N)N)c1)c1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.42
ITGAV P06756 13/20 0.42
ITGB6 P18564 11/20 0.42
ITGB1 P05556 3/20 0.42
ITGA5 P08648 3/20 0.42
ITGB5 P18084 3/20 0.42
ITGB8 P26012 3/20 0.42
ITGA8 P53708 3/20 0.42
GPR139 Q6DWJ6 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
F2 P00734 1/20 0.38
F7 P08709 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
SCHEMBL7339148 0.92 F7 (0.44) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7346550 0.90 ITGB3 (0.40) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7341726 0.90 GPR139 (0.42) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7836365 0.90 ITGB3 (0.52) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7341087 0.89 GPR139 (0.48) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL3839471 0.89 GPR139 (0.47) ITGB3ITGAVITGB1ITGA5GPR139
SCHEMBL6778577 0.88 ITGB3 (0.50) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7339495 0.87 KMT2A (0.44) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7338356 0.87 SMN1; SMN2 (0.44) GPR139MEN1KMT2AF2F7
SCHEMBL7340341 0.86 F7 (0.41) ITGB3ITGAVITGB6ITGB1ITGA5

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 1 patent. 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