SCHEMBL30450076

SCHEMBL30450076

C[C@H](CNC(=O)OC(C)(C)C)Oc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
SCN9A Q15858 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PPARG P37231 1/20 0.43
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
FFAR1 O14842 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL30450029 1.00 LMNA (0.45) LMNASCN9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL28350965 1.00 LMNA (0.45) LMNASCN9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL20595187 0.86 SCN9A (0.50) LMNASCN9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL20595194 0.86 SCN9A (0.50) LMNASCN9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL20595185 0.86 SCN9A (0.50) LMNASCN9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL28999002 0.81 SMN1; SMN2 (0.49) LMNASCN9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL28999003 0.81 SMN1; SMN2 (0.49) LMNASCN9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL28999190 0.78 MAPK1 (0.47) LMNASCN9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL783971 0.78 MAPK1 (0.53) LMNASMN1; SMN2MAPK1ALDH1A1KMT2A
SCHEMBL28350962 0.78 MAPK1 (0.47) LMNASCN9ASMN1; SMN2MAPK1ALDH1A1

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
CN-110612285-B Amide derivatives as Nav1.7 and Nav1.8 blockers 拉夸里亚创药株式会社 2023-04-04 CN disclosed