SCHEMBL9568140

SCHEMBL9568140

COC(=O)C(OC(=O)C(C)(C)C)C1CCN(C(=O)c2ccc(-c3ccc(C(=N)NC(=O)OCc4ccccc4)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.42
LMNA P02545 4/20 0.41
MASP2 O00187 2/20 0.41
HTR1A P08908 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
YAP1 P46937 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
FASN P49327 1/20 0.38
KMT2A Q03164 2/20 0.38
ADAMTS7 Q9UKP4 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL9176283 0.85 SMN1; SMN2 (0.40) LMNAMASP2SMN1; SMN2NPC1RAB9A
SCHEMBL9568146 0.82 YAP1 (0.43) TGM2LMNAMASP2HTR1AHTR1B
SCHEMBL9568109 0.81 LMNA (0.41) LMNAPOLBSMN1; SMN2ALDH1A1FASN
SCHEMBL8407202 0.80 YAP1 (0.49) TGM2LMNAMASP2HTR1AHTR1B
SCHEMBL9568095 0.79 TGM2 (0.48) TGM2LMNAMASP2HTR1AHTR1B
SCHEMBL9568189 0.79 TGM2 (0.42) TGM2LMNAMASP2HTR1AHTR1B
SCHEMBL9568106 0.79 FASN (0.38) TGM2LMNAMASP2HTR1AHTR1B
SCHEMBL9568139 0.78 TGM2 (0.41) TGM2LMNAMASP2HTR1AHTR1B
SCHEMBL9568107 0.76 MEN1 (0.38) TGM2LMNAMASP2HTR1AHTR1B
SCHEMBL9568160 0.75 YAP1 (0.41) TGM2LMNAMASP2HTR1AHTR1B

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