SCHEMBL18102248

SCHEMBL18102248

CCCCCCN(CCCCCC)c1ccc(/C=C/C=C/c2cc[n+](CCCS(=O)(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.52
CHRM4 P08173 2/20 0.52
CHRM5 P08912 2/20 0.52
CHRM1 P11229 2/20 0.52
CHRM3 P20309 2/20 0.52
KDM4A O75164 4/20 0.51
KDM2A Q9Y2K7 4/20 0.51
INSR P06213 2/20 0.42
CNR2 P34972 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
APAF1 O14727 2/20 0.39
HSP90AA1 P07900 2/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 2/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RGS12 O14924 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
SCHEMBL455655 0.96 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL455654 0.96 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL25174360 0.95 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6418098 0.95 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6418092 0.95 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9016121 0.95 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9016124 0.95 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
Water SCHEMBL15128891 0.94 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
Water SCHEMBL16343174 0.94 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14984184 0.92 KDM4A (0.58) CHRM2CHRM4CHRM5CHRM1CHRM3

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
US-20160282360-A1 LUCIFERASE-BASED THERMAL SHIFT ASSAYS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2016-09-29 US disclosed