SCHEMBL10824239

SCHEMBL10824239

C=Cc1ncccc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.40
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 3/20 0.39
HTT P42858 2/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
TSHR P16473 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MMP2 P08253 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MMP9 P14780 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
MMP8 P22894 1/20 0.37

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
Iodide SCHEMBL27658785 0.98 TOP1 (0.39) TOP1ALDH1A1HSD17B10HTTPTGS1
SCHEMBL2781234 0.85 TOP1 (0.38) TOP1ALDH1A1HSD17B10HTTPTGS1
SCHEMBL17177392 0.83 TOP1 (0.41) TOP1PTGS1PTGS2TGFBR1
SCHEMBL30019890 0.82 TOP1 (0.41) TOP1ALDH1A1HSD17B10HTTPTGS1
Guaiacol SCHEMBL27727259 0.81 TP53 (0.47) ALDH1A1HSD17B10TSHRMAPTKDM4E
SCHEMBL2083077 0.80 ALDH1A1 (0.42) TOP1ALDH1A1HSD17B10HTTPTGS1
SCHEMBL819947 0.78 KDM4E (0.48) ALDH1A1HSD17B10HTTMAPTKDM4E
SCHEMBL9000310 0.78 TOP1 (0.42) TOP1ALDH1A1HSD17B10HTTPTGS1
SCHEMBL5507245 0.77 CYP11B1 (0.46) TOP1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL554430 0.77 LRRK2 (0.39) ALDH1A1PTGS1PTGS2TSHRMAPT

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
CN-102417925-A Reagent for detecting potassium ion content in blood, preparation method and kit containing reagent TIANJIN HEOWNS BIOTECHNOLOGY CO LTD 2012-04-18 CN claimed
JP-61060651-A None JP disclosed
CN-105906554-A Acrylate styryl pyridinium salts as well as synthesis and application thereof 湖北固润科技股份有限公司 2016-08-31 CN disclosed
CN-103472239-A Preparation method of creatinine content detection reagent with three-layer structure TIANJIN HEOWNS BIOCHEM TECHNOLOGIES CO LTD 2013-12-25 CN disclosed
CN-103472041-A Use method for creatinine content detection kit TIANJIN HEOWNS BIOCHEM TECHNOLOGIES CO LTD 2013-12-25 CN disclosed
CN-102375066-B Creatinine content detection reagent and kit, and preparation and use methods of kit TIANJIN HEOWNS BIOTECHNOLOGY CO LTD 2013-10-16 CN disclosed
CN-102417925-A Reagent for detecting potassium ion content in blood, preparation method and kit containing reagent TIANJIN HEOWNS BIOTECHNOLOGY CO LTD 2012-04-18 CN disclosed
CN-102375066-A Creatinine content detection reagent and kit, and preparation and use methods of kit TIANJIN HEOWNS BIOTECHNOLOGY CO LTD 2012-03-14 CN disclosed
CN-1237969-C therapeutic agent for chronic articular rheumatism NIPPON SHINYAKU CO LTD (JP) 2006-01-25 CN disclosed
CN-1501801-A therapeutic agent for chronic articular rheumatism 日本新药株式会社 2004-06-02 CN disclosed
JP-S6160651-A PHENYLPYRIDYLETHYLENE DERIVATIVE AND HERBICIDE CONTAINING SAID DERIVATIVE AS ACTIVE COMPONENT IDEMITSU KOSAN CO LTD 1986-03-28 JP disclosed