SCHEMBL28627476

SCHEMBL28627476

O=[N+]([O-])/C=C/c1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 10/20 0.49
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSP90AA1 P07900 1/20 0.40
VCP P55072 1/20 0.39
RXRA P19793 1/20 0.37
TERT O14746 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
HCAR1 Q9BXC0 1/20 0.36
TLR4 O00206 1/20 0.36
TLR2 O60603 1/20 0.36
APP P05067 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 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
SCHEMBL28627478 1.00 FBP1 (0.49) FBP1ALDH1A1MAPTALOX12HTT
SCHEMBL15056165 0.89 FBP1 (0.50) FBP1ALDH1A1MAPTALOX12HTT
SCHEMBL15056166 0.89 FBP1 (0.50) FBP1ALDH1A1MAPTALOX12HTT
SCHEMBL29149940 0.79 FBP1 (0.53) FBP1ALDH1A1MAPTALOX12HTT
SCHEMBL30259520 0.79 FBP1 (0.53) FBP1ALDH1A1MAPTALOX12HTT
SCHEMBL20177880 0.79 FBP1 (0.53) FBP1ALDH1A1MAPTALOX12HTT
SCHEMBL2077056 0.78 FBP1 (0.56) FBP1ALDH1A1MAPTALOX12HTT
SCHEMBL2077055 0.78 FBP1 (0.56) FBP1ALDH1A1MAPTALOX12HTT
SCHEMBL29193278 0.78 FBP1 (0.53) FBP1ALDH1A1MAPTAPP
SCHEMBL29193282 0.78 FBP1 (0.53) FBP1ALDH1A1MAPTAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113302185-B Benzofuran-6-carboxamide derivatives, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2024-04-09 CN disclosed
CN-113302185-A Benzofuran-6-carboxamide derivatives, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2021-08-24 CN disclosed