SCHEMBL9684907

SCHEMBL9684907

CCNC(=S)n1c(-c2cc(OC)c(O)c(OC)c2)nc(-c2ccc(N(CCO)CCO)cc2)c1-c1ccc(N(CCO)CCO)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 5/20 0.35
NOX1 Q9Y5S8 1/20 0.32
USP8 P40818 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
MAP4K4 O95819 1/20 0.31
TNIK Q9UKE5 1/20 0.31

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
SCHEMBL4087612 0.92 SMPD3 (0.37) SMPD3NOX1TP53MAPT
SCHEMBL9683714 0.91 SMPD3 (0.36) SMPD3NOX1USP8TP53MAPT
SCHEMBL9683814 0.77 ALDH1A1 (0.38) SMPD3MAPTMAP4K4TNIK
SCHEMBL9099285 0.77 SMPD3 (0.40) SMPD3NOX1TP53MAPT
SCHEMBL10914827 0.76 SMPD3 (0.38) SMPD3TP53MAPT
SCHEMBL9494004 0.73 SMPD3 (0.40) SMPD3NOX1TP53MAPT
SCHEMBL9684929 0.73 ALDH1A1 (0.36) SMPD3MAPT
SCHEMBL12152129 0.72 TEK (0.40) SMPD3NOX1TP53MAPT
SCHEMBL10082739 0.70 FABP4 (0.36) SMPD3MAPT
SCHEMBL9684899 0.70 SMPD3 (0.35) SMPD3NOX1TP53MAPT

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-5164512-A Triarylimidazole derivative, determination of hydrogen peroxide generated by enzymatic reaction WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1992-11-17 US disclosed
EP-0404526-A1 Oxidizable color producing reagent WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1990-12-27 EP disclosed