SCHEMBL17635540

SCHEMBL17635540

CC[N+](CC)(CC)CCC[n+]1ccc(/N=N/c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.50
CHRM4 P08173 2/20 0.50
CHRM5 P08912 2/20 0.50
CHRM1 P11229 2/20 0.50
CHRM3 P20309 2/20 0.50
CHKA P35790 2/20 0.46
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4A O75164 2/20 0.43
KDM2A Q9Y2K7 2/20 0.43
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 5/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 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
SCHEMBL17635549 0.84 CHRM2 (0.68) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17635557 0.82 CHRM2 (0.62) CHRM2CHRM4CHRM5CHRM1CHRM3
Bromide SCHEMBL31672943 0.81 CHRM2 (0.64) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17705085 0.79 CHRM2 (0.58) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14366665 0.79 CHKA (0.51) CHKAMAPK1TDP1ALDH1A1TSHR
SCHEMBL18087729 0.79 CHKA (0.51) CHKAMAPK1TDP1ALDH1A1TSHR
Bromide SCHEMBL18074371 0.78 CHKA (0.54) CHKAMAPK1TDP1ALDH1A1TSHR
Bromide SCHEMBL18074372 0.78 CHKA (0.54) CHKAMAPK1TDP1ALDH1A1TSHR
SCHEMBL17705086 0.76 CHRM2 (0.58) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19494766 0.76 CHRM2 (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3000848-B1 COMPOUND FOR GENERATING SECOND HARMONIC OF LIGHT, DYE COMPOSITION FOR GENERATING SECOND HARMONIC OF LIGHT, AND CELL EXAMINATION METHOD UNIV KEIO (JP) 2017-10-25 EP disclosed
US-9709555-B2 Compound for generating second harmonic of light, dye composition for generating second harmonic of light, and cell examination method KEIO UNIVERSITY (JP) 2017-07-18 US disclosed
US-20160116460-A1 COMPOUND FOR GENERATING SECOND HARMONIC OF LIGHT, DYE COMPOSITION FOR GENERATING SECOND HARMONIC OF LIGHT, AND CELL EXAMINATION METHOD KEIO UNIVERSITY (JP) 2016-04-28 US disclosed
EP-3000848-A1 COMPOUND FOR GENERATING SECOND HARMONIC OF LIGHT, DYE COMPOSITION FOR GENERATING SECOND HARMONIC OF LIGHT, AND CELL EXAMINATION METHOD Keio University (JP) 2016-03-30 EP disclosed