SCHEMBL8098103

SCHEMBL8098103

CC(C)(C(=O)NCCCCNC(=N)N)C(=O)NCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.51
POLB P06746 1/20 0.50
MMP8 P22894 5/20 0.47
OPRK1 P41145 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX2 P34913 1/20 0.44
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL8095236 0.87 RIPK1 (0.52) RIPK1POLBMMP8OPRK1SMN1; SMN2
SCHEMBL8098099 0.87 RIPK1 (0.44) RIPK1POLBMMP8OPRK1SMN1; SMN2
SCHEMBL7433686 0.83 F2 (0.46) RIPK1POLBMMP8OPRK1
SCHEMBL8095253 0.81 RIPK1 (0.39) RIPK1POLBMMP8OPRK1SMN1; SMN2
SCHEMBL10936025 0.79 RIPK1 (0.63) RIPK1MMP8OPRK1SMN1; SMN2LMNA
SCHEMBL7438271 0.79 F2 (0.43) RIPK1OPRK1
SCHEMBL24486730 0.79 EPHX2 (0.67) SMN1; SMN2EPHX2LMNAGAAMEN1
SCHEMBL8095062 0.77 MMP8 (0.48) MMP8SMN1; SMN2EPHX2KEAP1NFE2L2
SCHEMBL7427096 0.76 RIPK1 (0.67) RIPK1POLBMMP8OPRK1SMN1; SMN2
Acetic Acid SCHEMBL28068598 0.76 CYP2C9 (0.53) RIPK1SMN1; SMN2GAAMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP claimed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP claimed
EP-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP disclosed