SCHEMBL26051490

SCHEMBL26051490

N#Cc1cccc(CNC(=O)NC23CC(C2)[C@@H](C(F)(F)F)C3)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ERCC1 P07992 1/20 0.44
▸ ERCC4 Q92889 1/20 0.44
▸ MAOA P21397 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ DPP8 Q6V1X1 1/20 0.41
▸ DPP9 Q86TI2 1/20 0.41
▸ GLMN Q92990 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ VNN1 O95497 2/20 0.40
▸ CLPP Q16740 1/20 0.40
▸ ROCK2 O75116 5/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ MAOB P27338 1/20 0.38

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
SCHEMBL26051521 0.84 EPHX2 (0.46) EPHX2MAPK1ERCC1ERCC4MAOA
SCHEMBL26050637 0.83 EPHX2 (0.49) EPHX2MAPK1
SCHEMBL26050881 0.81 EPHX2 (0.45) EPHX2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL25369595 0.81 ERCC1 (0.46) EPHX2MAPK1ERCC1ERCC4MAOA
SCHEMBL30580137 0.81 ERCC1 (0.46) EPHX2MAPK1ERCC1ERCC4MAOA
SCHEMBL26050632 0.80 EPHX2 (0.52) EPHX2MAPK1NAMPTROCK2
SCHEMBL26050884 0.80 EPHX2 (0.44) EPHX2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL31173726 0.79 ERCC1 (0.49) EPHX2MAPK1ERCC1ERCC4MAOA
SCHEMBL25369701 0.79 ERCC1 (0.49) EPHX2MAPK1ERCC1ERCC4MAOA
SCHEMBL26052204 0.79 EPHX2 (0.43) EPHX2MAPK1SMN1; SMN2ALDH1A1

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
WO-2023158584-A1 NEW BICYCLOPENTANE DERIVATIVES ICAGEN, LLC (US) 2023-08-24 — — WO disclosed
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