SCHEMBL909646

SCHEMBL909646

c1csc(-n2cnnn2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 5/20 0.46
HSD17B10 Q99714 1/20 0.42
NOTUM Q6P988 5/20 0.39
MAPT P10636 2/20 0.37
F2 P00734 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
AKR1C3 P42330 1/20 0.36
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
Bromide SCHEMBL18010906 0.98 KCNJ1 (0.45) KCNJ1HSD17B10NOTUMMAPTF2
SCHEMBL3988944 0.73 LMNA (0.39) HSD17B10NOTUMALDH1A1TDP1LMNA
Bromide SCHEMBL28839161 0.67 CYP2A6 (0.38) HSD17B10MAPTALDH1A1TDP1LMNA
SCHEMBL6244401 0.66 NOTUM (0.50) KCNJ1NOTUMMAPTF2ALDH1A1
SCHEMBL30076435 0.65 NOTUM (0.47) KCNJ1HSD17B10NOTUMMAPTF2
SCHEMBL4201913 0.65 TDP1 (0.37) HSD17B10MAPTALDH1A1TDP1LMNA
SCHEMBL1782525 0.65 ALDH1A1 (0.45) HSD17B10NOTUMMAPTALDH1A1TDP1
SCHEMBL3777154 0.65 EGLN1 (0.51) ALDH1A1AKR1C3
SCHEMBL20268598 0.64 ALDH1A1 (0.42) ALDH1A1L3MBTL1
SCHEMBL3117510 0.64 NOTUM (0.48) KCNJ1HSD17B10NOTUMMAPTF2

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118119631-A Programmable selective acylation of polyols 南洋理工大学 2024-05-31 CN claimed
EP-1831392-B1 METHOD FOR DETERMINING THE CONCENTRATION OF GLUCOSE BY DIRECT MEDIATION OF ENZYMES BAYER HEALTHCARE LLC (US) 2010-07-07 EP claimed
CN-101115750-A Water soluble tetrazolium salts BAYER HEALTHCARE LLC (US) 2008-01-30 CN claimed
EP-0476455-B1 Phenyl-substituted 2-thiazolyl tetrazolium salt indicators BAYER AG (US) 1998-11-04 EP claimed
EP-0476454-B1 Analytical method using tetrazolium salt indicators having a reflectance plateau BAYER AG (US) 1996-10-23 EP claimed
US-5126275-A Chromogenic reducing indicators for reducing substances such as NADH MILES INC. (US) 1992-06-30 US claimed
EP-0476454-A1 Analytical method using tetrazolium salt indicators having a reflectance plateau Bayer Corporation (US) 1992-03-25 EP claimed
WO-2024147451-A1 NOVEL COMPOUND FOR PHOTODYNAMIC CANCER THERAPY, COMPOSITION COMPRISING SAME, AND PHOTODYNAMIC CANCER THERAPY METHOD 부경대학교 산학협력단 2024-07-11 WO disclosed
CN-111803651-A Hydroxy safflower yellow A compound and preparation process and application thereof 浙江中医药大学 2020-10-23 CN disclosed
CN-107056743-B A kind of depsidone compound and its preparation method and application 云南民族大学 2019-09-13 CN disclosed
CN-109821017-A 5-ALA and iron chelating agent are preparing the application in antineoplastic combination drug 天津医科大学 2019-05-31 CN disclosed
CN-109485570-A A kind of isopentene group substituted biphenyl class compound and its preparation method and application 云南民族大学 2019-03-19 CN disclosed
CN-109485569-A A kind of acetoxyl group isopentene group substituted biphenyl class compound and its preparation method and application 云南民族大学 2019-03-19 CN disclosed
US-5126275-A Chromogenic reducing indicators for reducing substances such as NADH MILES INC. (US) 1992-06-30 US disclosed
EP-0476454-A1 Analytical method using tetrazolium salt indicators having a reflectance plateau Bayer Corporation (US) 1992-03-25 EP disclosed
EP-0476456-A2 Substituted 2-thiazolyl tetrazolium salt indicators Bayer Corporation (US) 1992-03-25 EP disclosed
EP-0476456-A2 Substituted 2-thiazolyl tetrazolium salt indicators Bayer Corporation (US) 1992-03-25 EP disclosed
EP-0476455-A2 Phenyl-substituted 2-thiazolyl tetrazolium salt indicators Bayer Corporation (US) 1992-03-25 EP disclosed
EP-0476455-A2 Phenyl-substituted 2-thiazolyl tetrazolium salt indicators Bayer Corporation (US) 1992-03-25 EP disclosed
CN-1037513-A The preparation of Pyrrolopyrimidine derivatives and application TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1989-11-29 CN disclosed