SCHEMBL9568095

SCHEMBL9568095

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.48
HTR2B P41595 2/20 0.47
HTR1A P08908 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
YAP1 P46937 1/20 0.47
ITGB3 P05106 6/20 0.44
ITGA2B P08514 6/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
LMNA P02545 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
SCHEMBL8407202 0.92 YAP1 (0.49) TGM2HTR2BHTR1AHTR1BHTR2A
SCHEMBL9568156 0.88 TGM2 (0.43) TGM2HTR2BHTR1AHTR1BHTR2A
SCHEMBL9568155 0.87 MEN1 (0.48) YAP1ITGB3ITGA2BPOLBSMN1; SMN2
SCHEMBL8407952 0.87 ITGB3 (0.49) ITGB3ITGA2BPOLBSMN1; SMN2ALDH1A1
SCHEMBL9568146 0.86 YAP1 (0.43) TGM2HTR2BHTR1AHTR1BHTR2A
SCHEMBL9568191 0.86 YAP1 (0.43) TGM2HTR2BHTR1AHTR1BHTR2A
SCHEMBL9568118 0.84 POLB (0.45) ITGB3ITGA2BPOLBSMN1; SMN2ALDH1A1
SCHEMBL9568145 0.84 EPHX1 (0.47) TGM2HTR2BHTR1AHTR1BHTR2A
SCHEMBL9568160 0.84 YAP1 (0.41) TGM2HTR2BHTR1AHTR1BHTR2A
SCHEMBL9568179 0.82 YAP1 (0.44) TGM2HTR2BHTR1AHTR1BHTR2A

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