SCHEMBL25937199

SCHEMBL25937199

C[N+](C)(C)CCCOc1ccc2c(c1)C(=O)c1ccc(OCCC[N+](C)(C)C)cc1C2=O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
KMT2A Q03164 3/20 0.62
POLB P06746 1/20 0.62
DNMT1 P26358 1/20 0.62
RAD52 P43351 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
RAB9A P51151 1/20 0.55
CHRNA7 P36544 1/20 0.53
TERT O14746 3/20 0.47
MAOB P27338 1/20 0.44
PTPN1 P18031 1/20 0.43

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
SCHEMBL1796183 0.97 MAPT (0.63) MAPTKMT2APOLBDNMT1RAD52
SCHEMBL1797289 0.97 MAPT (0.67) MAPTKMT2APOLBDNMT1RAD52
SCHEMBL1796329 0.97 MAPT (0.58) MAPTKMT2APOLBDNMT1RAD52
SCHEMBL1794742 0.90 MAPT (0.62) MAPTKMT2APOLBDNMT1RAD52
SCHEMBL1796104 0.90 MAPT (0.57) MAPTKMT2APOLBDNMT1RAD52
SCHEMBL1797536 0.90 MAPT (0.66) MAPTKMT2APOLBDNMT1RAD52
SCHEMBL1796178 0.81 KMT2A (0.50) MAPTKMT2APOLBDNMT1RAD52
SCHEMBL1794906 0.80 MAPT (0.44) MAPTKMT2APOLBDNMT1RAD52
SCHEMBL1793114 0.80 MAPT (0.45) MAPTKMT2APOLBDNMT1RAD52
SCHEMBL918880 0.78 MAPT (0.69) MAPTKMT2APOLBDNMT1RAD52

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-2023147421-A1 ELECTROCHEMICAL CO2 CAPTURE WITH AIR STABLE REDOX SPECIES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-03 WO disclosed