SCHEMBL26601236

SCHEMBL26601236

N#CC(=CC(N)=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 2/20 0.43
WDR5 P61964 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
MCL1 Q07820 1/20 0.40
DHODH Q02127 1/20 0.40
PTPN1 P18031 1/20 0.40
GSK3B P49841 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
CDC25B P30305 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL5449821 0.90 ALDH1A1 (0.49) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL28615780 0.86 SMN1; SMN2 (0.46) SMN1; SMN2MAPTHPGDRAB9ANPC1
SCHEMBL9467823 0.85 SMN1; SMN2 (0.44) SMN1; SMN2MAPTHPGDRAB9ANPC1
SCHEMBL9467815 0.85 SMN1; SMN2 (0.44) SMN1; SMN2MAPTHPGDRAB9ANPC1
Potassium Ion SCHEMBL9467819 0.82 SMN1; SMN2 (0.42) SMN1; SMN2MAPTALDH1A1RAB9ANPC1
SCHEMBL9539325 0.81 ESR1 (0.55) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL31467341 0.80 MAPT (0.43) SMN1; SMN2MAPTKDM4EALDH1A1RAB9A
SCHEMBL28895523 0.77 ESR1 (0.44) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL2581993 0.76 SMN1; SMN2 (0.52) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL28724952 0.75 ALDH1A1 (0.40) SMN1; SMN2MAPTWDR5ALDH1A1RAB9A

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
WO-2023205279-A1 IMPROVED RAMAN SPECTROSCOPY WITH THE ADDITION OF AROMATIC COMPOUNDS THE JOHNS HOPKINS UNIVERSITY (US) 2023-10-26 WO disclosed
WO-2023205280-A1 ENHANCED FLUORESCENCE SIGNAL THROUGH THE APPLICATION OF AROMATIC ADDITIVES ONTO THE MICROSCOPY SAMPLE FOR STANDARD FLUORESCENCE, FLUORESCENCE MICROSCOPY AND COMBINED FLUORESCENCE MALDI MICROSCOPY/IMAGING THE JOHNS HOPKINS UNIVERSITY (US) 2023-10-26 WO disclosed