SCHEMBL17366641

SCHEMBL17366641

CNc1ccc(/C=C/c2sc3ccccc3[n+]2CCC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ INSR P06213 17/20 0.50
▸ MEN1 O00255 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ MMP14 P50281 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL14168922 0.84 INSR (0.71) INSR
SCHEMBL12550259 0.84 INSR (0.71) INSR
Bromide SCHEMBL6248767 0.74 INSR (0.55) INSRMEN1HTTKMT2ALMNA
SCHEMBL16144029 0.74 INSR (0.51) INSRMEN1HTTKMT2ALMNA
Iodide SCHEMBL1244938 0.73 INSR (0.50) INSRMEN1HTTKMT2ALMNA
Iodide SCHEMBL11239786 0.72 MAPT (0.69) CYP2D6TSHRHSD17B10INSRMEN1
SCHEMBL17322556 0.71 INSR (0.75) CYP2D6INSRMEN1HTTKMT2A
SCHEMBL12576985 0.71 CYP2D6 (1.00) CYP2D6TSHRHSD17B10MEN1HTT
SCHEMBL17123801 0.71 CYP2D6 (0.41) CYP2D6TSHRHSD17B10INSRMEN1
SCHEMBL24599192 0.70 MEN1 (0.49) CYP2D6TSHRHSD17B10INSRMEN1

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-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
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