SCHEMBL17081896

SCHEMBL17081896

C/C=C\C(\C=C\c1ccc(N(C)C)cc1)=C/C=N/CCCCCC/N=C/C=C(\C=C/C)/C=C/c1ccc(N(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 1/20 0.43
▸ APP P05067 4/20 0.42
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.40
▸ MMP8 P22894 1/20 0.38
▸ MAOB P27338 3/20 0.37
▸ MAOA P21397 2/20 0.37
▸ TYR P14679 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ KDM4A O75164 2/20 0.36
▸ KDM2A Q9Y2K7 2/20 0.36
▸ RELA Q04206 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL14986920 0.90 KDM4A (0.54) HSD17B3APPCRHBPCRHR2TLR9
SCHEMBL17081833 0.86 ALDH1A1 (0.41) TLR9MAPTMEN1NPC1MAPK1
SCHEMBL14986919 0.79 CHRM2 (0.47) APPTLR9MAPTKDM4AKDM2A
SCHEMBL14986927 0.78 CHRM2 (0.48) APPTLR9MAPTKDM4AKDM2A
SCHEMBL14986873 0.76 HSD17B3 (0.51) HSD17B3APPCRHBPCRHR2TLR9
SCHEMBL19903948 0.76 HSD17B3 (0.42) HSD17B3APPCRHBPCRHR2TLR9
SCHEMBL17231187 0.74 APP (0.37) HSD17B3APPCRHBPCRHR2TLR9
SCHEMBL19663850 0.72 HTT (0.39) MAPTKDM4AKDM2AMEN1NPC1
SCHEMBL15251115 0.71 ALDH1A1 (0.36) TLR9MAPTMEN1NPC1MAPK1
SCHEMBL16310052 0.71 ALDH1A1 (0.44) TLR9MAPTMEN1NPC1MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280921-A1 DYES FOR ANALYSIS OF PROTEIN AGGREGATION ENZO LIFE SCIENCES, INC. (US) 2016-09-29 — — US disclosed
US-20150376411-A1 NOVEL DYES AND COMPOSITIONS, AND PROCESSES FOR USING SAME IN ANALYSIS OF PROTEIN AGGREGATION AND OTHER APPLICATIONS ENZO BIOCHEM, INC. (US) 2015-12-31 — — US disclosed
US-9133343-B2 Dyes and compositions, and processes for using same in analysis of protein aggregation and other applications ENZO BIOCHEM, INC. (US) 2015-09-15 — — US disclosed
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