SCHEMBL5572801

SCHEMBL5572801

B.COc1cc(-c2ccc([N+]#N)c(OC)c2)ccc1[N+]#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 3/20 0.39
PDE4A P27815 1/20 0.38
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL1856962 0.98 ALDH1A1 (0.48) ALDH1A1CYP3A4TDP1HSD17B10TSHR
Hydrochloric Acid SCHEMBL9816483 0.96 ALDH1A1 (0.47) ALDH1A1CYP3A4TDP1HSD17B10TSHR
Hydrochloric Acid SCHEMBL5384716 0.96 ALDH1A1 (0.47) ALDH1A1CYP3A4TDP1HSD17B10TSHR
Hydrochloric Acid SCHEMBL5444051 0.94 ALDH1A1 (0.45) ALDH1A1CYP3A4TDP1HSD17B10TSHR
SCHEMBL14487132 0.89 ALDH1A1 (0.41) ALDH1A1CYP3A4TDP1HSD17B10TSHR
Zinc Chloride SCHEMBL29375627 0.89 ALDH1A1 (0.41) ALDH1A1CYP3A4TDP1HSD17B10TSHR
SCHEMBL12364590 0.87 ALDH1A1 (0.40) ALDH1A1CYP3A4TDP1HSD17B10TSHR
Hydrochloric Acid SCHEMBL11080769 0.87 NPC1 (0.44) ALDH1A1CYP3A4TDP1HSD17B10TSHR
SCHEMBL1856965 0.86 ERN1 (0.48) CYP3A4PDGFRBPDGFRAERN1DYRK1A
Sulfuric Acid SCHEMBL7560191 0.81 ACLY (0.46) HSD17B10HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189576-B2 Method for measuring substance and testing piece ARKRAY INC. (JP) 2007-03-13 US disclosed
US-7153696-B2 Method for measuring substance and testing piece ARKRAY INC. (JP) 2006-12-26 US disclosed
US-7098038-B2 Method for measuring substance and testing piece ARKRAY INC. (JP) 2006-08-29 US disclosed
EP-0860695-B1 Method for measuring an analyte and corresponding device ARKRAY INC (JP) 2006-01-04 EP disclosed
US-6777243-B2 MEASURING DETECTABLE SUBSTANCE BY USING AQUEOUS REACTION SYSTEM INCLUDING FORMATION REACTION OF DETECTABLE SUBSTANCE BASED ON CHEMICAL REACTION OF ANALYTE CONTAINED IN SAMPLE; REACTING IN PRESENCE OF LAYERED INORGANIC COMPOUND ARKRAY INC. (JP) 2004-08-17 US disclosed
US-20030203503-A1 Method for measuring substance and testing piece FUKUOKA TAKAO (JP) 2003-10-30 US disclosed
US-20030180183-A1 Method for measuring substance and testing piece FUKUOKA TAKAO (JP) 2003-09-25 US disclosed
US-20030175984-A1 Method for measuring substance and testing piece FUKUOKA TAKAO (JP) 2003-09-18 US disclosed
US-20030166295-A1 Method for measuring substance and testing piece FUKUOKA TAKAO (JP) 2003-09-04 US disclosed
EP-0860695-A9 METHOD OF MEASUREMENT OF MATERIAL AND TESTPIECE KABUSHIKI KAISHA KYOTO DAIICHI KAGAKU (JP) 2001-10-17 EP disclosed
EP-0860695-A1 METHOD OF MEASUREMENT OF MATERIAL AND TESTPIECE KABUSHIKI KAISHA KYOTO DAIICHI KAGAKU (JP) 1998-08-26 EP disclosed