SCHEMBL30875906

SCHEMBL30875906

BrCCOCCOCCOCCOn1cnc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.53
LMNA P02545 7/20 0.53
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 4/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 5/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TNF P01375 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL17103057 0.76 SMN1; SMN2 (0.45) SMN1; SMN2LMNATDP1L3MBTL1MAPT
SCHEMBL28860663 0.74 TDP1 (0.48) SMN1; SMN2LMNATDP1L3MBTL1NPC1
SCHEMBL1003201 0.74 SMN1; SMN2 (0.45) SMN1; SMN2LMNAMAPTNPC1ALOX15
SCHEMBL9672155 0.71 CYP11B1 (0.53) SMN1; SMN2LMNAALDH1A1TDP1L3MBTL1
SCHEMBL1293053 0.70 TDP1 (0.52) SMN1; SMN2LMNATDP1L3MBTL1TSHR
SCHEMBL29924240 0.69 SMN1; SMN2 (1.00) SMN1; SMN2LMNATDP1L3MBTL1MAPT
SCHEMBL351186 0.69 SMN1; SMN2 (1.00) SMN1; SMN2LMNATDP1L3MBTL1MAPT
SCHEMBL352367 0.69 SMN1; SMN2 (1.00) SMN1; SMN2LMNATDP1L3MBTL1MAPT
SCHEMBL9251888 0.69 LMNA (0.47) SMN1; SMN2LMNAALDH1A1TDP1L3MBTL1
SCHEMBL17103302 0.68 SMN1; SMN2 (0.43) SMN1; SMN2LMNATDP1L3MBTL1MAPT

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
US-12055517-B2 Graphene transistor comprising functionalized N-heterocyclic carbene compound, fabrication method therefor, and biosensor comprising same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2024-08-06 US disclosed
EP-3703134-B1 BIOSENSOR COMPRISING GRAPHENE TRANSISTOR FUNCTIONALIZED WITH N-HETEROCYCLIC CARBENE COMPOUND AND FABRICATION METHOD THEREFOR KOREA RES INST BIOSCIENCE & BIOTECHNOLOGY (KR) 2024-04-17 EP disclosed