SCHEMBL7693285

SCHEMBL7693285

Nc1ccc(N)c(CCCS(=O)(=O)O)c1CCCS(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
CYP2D6 P10635 1/20 0.37
LMNA P02545 3/20 0.36
BLM P54132 2/20 0.36
SLC6A6 P31641 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 5/20 0.34
RAB9A P51151 3/20 0.34
RECQL P46063 3/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
PKM P14618 2/20 0.34
ALOX15 P16050 2/20 0.34
THRB P10828 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL6812392 0.91 S1PR1 (0.42) APPCYP2D6ALDH1A1RAB9AKDM4E
SCHEMBL27484653 0.77 S1PR1 (0.38) APPALDH1A1HSD17B10S1PR2S1PR1
SCHEMBL6742162 0.77 ALDH1A1 (0.41) LMNABLMALDH1A1TSHRKDM4E
SCHEMBL4940219 0.77 CD44 (0.37) APPCYP2D6ALDH1A1TSHRKDM4E
SCHEMBL1257433 0.76 ALDH1A1 (0.36) APPCYP2D6ALDH1A1TSHRKDM4E
SCHEMBL27678030 0.75 TTR (0.41) APPCYP2D6LMNABLMSLC6A6
SCHEMBL11285123 0.75 MGLL (0.40) APPCYP2D6LMNABLMSLC6A6
Sulfuric Acid SCHEMBL3983159 0.74 CA2 (0.41) LMNABLMALDH1A1RAB9ARECQL
SCHEMBL4437046 0.73 APP (0.34) APPCYP2D6ALDH1A1TSHRHSD17B10
SCHEMBL28387485 0.73 APP (0.38) APPCYP2D6LMNABLMSLC6A6

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-6340596-B1 COLORIMETRIC ANALYSIS; REACTING HYDROGEN SULFIDE WITH P-(DIALKYLAMINO)-ANILINE DERIVATIVE AND OXIDIZING AGENT UNDER ACIDIC CONDITIONS FUJIREBIO INC. (JP) 2002-01-22 US claimed
US-6340596-B1 COLORIMETRIC ANALYSIS; REACTING HYDROGEN SULFIDE WITH P-(DIALKYLAMINO)-ANILINE DERIVATIVE AND OXIDIZING AGENT UNDER ACIDIC CONDITIONS FUJIREBIO INC. (JP) 2002-01-22 US disclosed
EP-0936466-A2 Reagent composition for measuring hydrogen sulfide and method for measuring hydrogen sulfide FUJIREBIO INC. (JP) 1999-08-18 EP disclosed