SCHEMBL16183122

SCHEMBL16183122

CCCCN(CCCC)c1ccc2cc(C=Cc3cc[n+](C)cc3)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.62
MAPT P10636 3/20 0.55
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GLA P06280 1/20 0.55
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
THRB P10828 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 1/20 0.47
ALPG P10696 1/20 0.47
HTT P42858 1/20 0.47
GFER P55789 1/20 0.47
KDM4A O75164 4/20 0.43
KDM2A Q9Y2K7 4/20 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
SCHEMBL16183111 0.95 APP (0.57) APPMAPTALDH1A1SMN1; SMN2GLA
SCHEMBL5676615 0.87 CHRM2 (0.61) APPMAPTALDH1A1SMN1; SMN2GLA
SCHEMBL5676626 0.87 CHRM2 (0.61) APPMAPTALDH1A1SMN1; SMN2GLA
SCHEMBL83586 0.87 CHRM2 (0.57) APPMAPTALDH1A1SMN1; SMN2GLA
Iodide SCHEMBL4959850 0.86 CHRM2 (0.60) APPMAPTALDH1A1SMN1; SMN2GLA
Iodide SCHEMBL4959859 0.86 CHRM2 (0.60) APPMAPTALDH1A1SMN1; SMN2GLA
SCHEMBL5128472 0.83 CHRM2 (0.56) APPMAPTALDH1A1SMN1; SMN2GLA
SCHEMBL42898 0.83 CHRM2 (0.56) APPMAPTALDH1A1SMN1; SMN2GLA
SCHEMBL3054036 0.82 CHRM2 (0.55) APPMAPTALDH1A1SMN1; SMN2GLA
SCHEMBL10340879 0.82 CHRM2 (0.55) APPMAPTALDH1A1SMN1; SMN2GLA

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-10024863-B2 Methods for dye selection for protein melt temperature determinations Life Technologies Corporation (US) 2018-07-17 US disclosed
US-20140315190-A1 METHODS FOR DYE SELECTION FOR PROTEIN MELT TEMPERATURE DETERMINATIONS Life Technologies Corporation 2014-10-23 US disclosed