SCHEMBL9568145

SCHEMBL9568145

N=C(NC(=O)OCc1ccccc1)c1ccc(-c2ccc(C(=O)N3CCC(CC(=O)OCC(=O)NC4CCCCC4)CC3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TGM2 P21980 1/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
YAP1 P46937 1/20 0.41
EPHX2 P34913 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
DPP4 P27487 1/20 0.39
KCNH2 Q12809 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL9568156 0.87 TGM2 (0.43) LMNAALDH1A1TGM2YAP1HTT
SCHEMBL8407202 0.85 YAP1 (0.49) LMNAALDH1A1TGM2KMT2AMEN1
SCHEMBL9568191 0.85 YAP1 (0.43) LMNAALDH1A1TGM2KMT2AYAP1
SCHEMBL9568095 0.84 TGM2 (0.48) LMNAALDH1A1TGM2YAP1HTT
Hydrochloric Acid SCHEMBL9568152 0.82 LMNA (0.47) LMNAALDH1A1KMT2AEPHX2TDP1
SCHEMBL9568146 0.82 YAP1 (0.43) LMNAALDH1A1TGM2KMT2AYAP1
SCHEMBL9568134 0.80 YAP1 (0.39) EPHX1LMNAALDH1A1TGM2KMT2A
SCHEMBL9568160 0.78 YAP1 (0.41) LMNAALDH1A1TGM2KMT2AMEN1
SCHEMBL9568179 0.77 YAP1 (0.44) TGM2YAP1HTTHTR1AHTR1B
SCHEMBL8407956 0.76 ITGB3 (0.44) ALDH1A1KMT2AMEN1GAAPOLB

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