SCHEMBL9568089

SCHEMBL9568089

COC(=O)NC(=N)c1ccc(-c2ccc(C(=O)N3CCC(CC(=O)OCC(C)(C)C)CC3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
ITGB3 P05106 9/20 0.39
ITGA2B P08514 9/20 0.39
HRH3 Q9Y5N1 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FASN P49327 1/20 0.38
YAP1 P46937 1/20 0.37
MIF P14174 1/20 0.37

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
SCHEMBL8407957 0.89 POLB (0.43) LMNAITGB3ITGA2BHRH3POLB
SCHEMBL9568130 0.87 POLB (0.41) LMNAITGB3ITGA2BHRH3POLB
Hydrochloric Acid SCHEMBL9568125 0.85 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL8407956 0.85 ITGB3 (0.44) ITGB3ITGA2BHRH3POLBALDH1A1
SCHEMBL8407952 0.84 ITGB3 (0.49) ITGB3ITGA2BPOLBALDH1A1SMN1; SMN2
SCHEMBL8410914 0.84 ITGB3 (0.42) ITGB3ITGA2BHRH3POLBALDH1A1
SCHEMBL9568137 0.83 HRH3 (0.39) LMNAITGB3ITGA2BHRH3POLB
SCHEMBL9568232 0.83 LMNA (0.38) LMNAITGB3ITGA2BHRH3POLB
SCHEMBL9568141 0.82 POLB (0.43) LMNAITGB3ITGA2BHRH3POLB
SCHEMBL9568202 0.82 POLB (0.43) LMNAITGB3ITGA2BHRH3POLB

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-0574808-A1 Amidine-biphenyl derivatives, process for their production & medical preparation containing them Dr. Karl Thomae GmbH (DE) 1993-12-22 EP disclosed