SCHEMBL18102259

SCHEMBL18102259

CCCCCCN(CCCCCC)c1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
APP P05067 4/20 0.61
INSR P06213 3/20 0.47
VDR P11473 4/20 0.42
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
MMP14 P50281 1/20 0.41
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
KDM4A O75164 4/20 0.38
KDM2A Q9Y2K7 4/20 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
SCHEMBL16997443 0.89 MAPT (0.55) MAPTAPPINSRVDRMEN1
SCHEMBL18102258 0.87 APP (0.80) MAPTAPPINSRMEN1LMNA
SCHEMBL14562240 0.87 APP (0.77) MAPTAPPINSRMEN1LMNA
SCHEMBL8995923 0.86 MAPT (0.68) MAPTAPPINSRVDRMEN1
SCHEMBL16253381 0.86 MAPT (0.68) MAPTAPPINSRVDRMEN1
SCHEMBL17320723 0.85 MAPT (0.55) MAPTAPPINSRVDRMEN1
SCHEMBL13235724 0.85 MAPT (0.58) MAPTAPPINSRVDRMEN1
Hydrochloric Acid SCHEMBL14675272 0.85 MAPT (0.67) MAPTAPPINSRVDRMEN1
Iodide SCHEMBL29249905 0.85 MAPT (0.70) MAPTAPPINSRVDRMEN1
Hydrochloric Acid SCHEMBL29429013 0.85 MAPT (0.67) MAPTAPPINSRVDRMEN1

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-20230341410-A1 LUCIFERASE-BASED THERMAL SHIFT ASSAYS PROMEGA CORPORATION 2023-10-26 US disclosed
US-20160282360-A1 LUCIFERASE-BASED THERMAL SHIFT ASSAYS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2016-09-29 US disclosed