SCHEMBL28522622

SCHEMBL28522622

N#Cc1ccc(C=[N+]([O-])c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
MAPT P10636 8/20 0.61
ALOX15 P16050 2/20 0.61
TSHR P16473 2/20 0.61
RECQL P46063 1/20 0.61
G6PD P11413 2/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 4/20 0.51
FBP1 P09467 4/20 0.46
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
HPGD P15428 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
SCHEMBL28605332 1.00 ALDH1A1 (0.61) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL12355299 0.93 G6PD (0.61) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL2240554 0.93 G6PD (0.61) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL19875637 0.84 ALDH1A1 (0.80) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL8039810 0.83 CA12 (0.53) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL11405230 0.83 MAPT (0.63) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL8043742 0.83 FBP1 (0.44) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL264278 0.80 ALDH1A1 (0.73) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL264277 0.80 ALDH1A1 (0.73) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL12349218 0.80 ALDH1A1 (0.73) ALDH1A1MAPTALOX15TSHRRECQL

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-110981808-B Method for synthesizing diastereomer 2-imidazolone compound by silver and alkali concerted catalysis 山东师范大学 2021-01-08 CN disclosed