SCHEMBL9568130

SCHEMBL9568130

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
HRH3 Q9Y5N1 3/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
YAP1 P46937 1/20 0.38
LMNA P02545 2/20 0.37
HTR2B P41595 2/20 0.36
HTR1A P08908 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36

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 0.90 POLB (0.43) POLBHRH3SMN1; SMN2ALDH1A1ITGB3
SCHEMBL9568089 0.87 LMNA (0.41) POLBHRH3SMN1; SMN2ALDH1A1ITGB3
SCHEMBL8407956 0.86 ITGB3 (0.44) POLBHRH3KMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL9568172 0.86 ITGB3 (0.48) SMN1; SMN2ITGB3ITGA2B
SCHEMBL8407952 0.85 ITGB3 (0.49) POLBSMN1; SMN2ALDH1A1ITGB3ITGA2B
SCHEMBL9568202 0.85 POLB (0.43) POLBHRH3KMT2AMEN1SMN1; SMN2
SCHEMBL9568141 0.85 POLB (0.43) POLBHRH3KMT2AMEN1SMN1; SMN2
SCHEMBL8410914 0.85 ITGB3 (0.42) POLBHRH3KMT2AMEN1SMN1; SMN2
SCHEMBL9568137 0.84 HRH3 (0.39) POLBHRH3SMN1; SMN2ALDH1A1ITGB3
SCHEMBL9568105 0.83 ITGB3 (0.43) POLBHRH3KMT2ASMN1; SMN2ALDH1A1

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