SCHEMBL9568189

SCHEMBL9568189

CC(C)(C(=O)OCC(N)=O)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 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
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
MASP2 O00187 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
FASN P49327 1/20 0.38
CAPN1 P07384 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C19 P33261 1/20 0.37
YAP1 P46937 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 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
SCHEMBL9568156 0.84 TGM2 (0.43) TGM2LMNASMN1; SMN2HTR1AHTR1B
SCHEMBL9568139 0.83 TGM2 (0.41) TGM2LMNASMN1; SMN2HTR1AHTR1B
SCHEMBL9568123 0.82 PRSS1 (0.44) LMNASMN1; SMN2ALDH1A1KMT2AITGB3
SCHEMBL9568095 0.79 TGM2 (0.48) TGM2LMNASMN1; SMN2HTR1AHTR1B
SCHEMBL9568146 0.79 YAP1 (0.43) TGM2LMNASMN1; SMN2HTR1AHTR1B
SCHEMBL9568140 0.79 TGM2 (0.42) TGM2LMNASMN1; SMN2HTR1AHTR1B
SCHEMBL8407202 0.78 YAP1 (0.49) TGM2LMNASMN1; SMN2HTR1AHTR1B
SCHEMBL9568191 0.75 YAP1 (0.43) TGM2LMNASMN1; SMN2HTR1AHTR1B
SCHEMBL9568106 0.74 FASN (0.38) TGM2LMNAHTR1AHTR1BHTR2A
SCHEMBL9568107 0.73 MEN1 (0.38) TGM2LMNASMN1; SMN2HTR1AHTR1B

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