SCHEMBL9568155

SCHEMBL9568155

N=C(NC(=O)OCc1ccccc1)c1ccc(-c2ccc(OCC(=O)N3CCC(CC(=O)O)CC3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ACHE P22303 5/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.46
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
YAP1 P46937 4/20 0.45
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 1/20 0.42
FAAH O00519 1/20 0.42
BCHE P06276 1/20 0.42

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
SCHEMBL9568095 0.87 TGM2 (0.48) POLBSMN1; SMN2ALDH1A1LMNAITGB3
SCHEMBL9568163 0.81 ACHE (0.44) MEN1KMT2APOLBSMN1; SMN2ACHE
SCHEMBL8407202 0.79 YAP1 (0.49) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL7300740 0.79 MAPT (0.52) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL9568156 0.78 TGM2 (0.43) POLBSMN1; SMN2ALDH1A1LMNAITGB3
SCHEMBL9176347 0.78 MAPT (0.43) SMN1; SMN2ALDH1A1LMNAITGB3ITGA2B
SCHEMBL9568191 0.76 YAP1 (0.43) KMT2APOLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL9568146 0.75 YAP1 (0.43) KMT2APOLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL9568145 0.74 EPHX1 (0.47) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL8407952 0.74 ITGB3 (0.49) POLBSMN1; SMN2ALDH1A1ITGB3ITGA2B

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