SCHEMBL62572

SCHEMBL62572

O=C(NCCO)c1cccnc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.75
KMT2A Q03164 5/20 0.68
MEN1 O00255 4/20 0.68
RAB9A P51151 4/20 0.68
NPC1 O15118 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
EPHX2 P34913 4/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
MAPT P10636 1/20 0.62
ALDH1A1 P00352 1/20 0.62
ALOX15 P16050 1/20 0.61
HSD17B10 Q99714 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
USP2 O75604 1/20 0.59
KEAP1 Q14145 1/20 0.58
NFE2L2 Q16236 1/20 0.58

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
SCHEMBL30664046 1.00 THRB (0.75) THRBKMT2AMEN1RAB9ANPC1
Hydrochloric Acid SCHEMBL7321595 0.98 THRB (0.73) THRBKMT2AMEN1RAB9ANPC1
Bromide SCHEMBL5671430 0.98 THRB (0.73) THRBKMT2AMEN1RAB9ANPC1
SCHEMBL25328235 0.91 THRB (0.77) THRBKMT2AMEN1RAB9ANPC1
Nitric Acid SCHEMBL4743268 0.91 MEN1 (0.67) THRBKMT2AMEN1RAB9ANPC1
SCHEMBL3514768 0.90 THRB (0.71) THRBKMT2AMEN1RAB9ANPC1
Methacrylic Acid SCHEMBL7750591 0.89 KMT2A (0.60) THRBKMT2AMEN1RAB9ANPC1
SCHEMBL9809561 0.88 RAB9A (0.76) THRBKMT2AMEN1RAB9ANPC1
SCHEMBL17822214 0.88 EPHX2 (0.75) THRBKMT2AMEN1RAB9ANPC1
SCHEMBL16323089 0.87 THRB (0.67) THRBKMT2AMEN1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119852298-A Method for improving technological efficiency of sodium ion negative electrode dry pulping process 浙江华宇钠电新能源科技有限公司 2025-04-18 CN claimed
CN-114621138-B Nicorandil Synthesis method of trimer 江苏天士力帝益药业有限公司 2024-12-31 CN claimed
CN-117706009-A Method for detecting aminoethyl nitrate in nicorandil bulk drug 上海旭东海普药业有限公司 2024-03-15 CN claimed
CN-114920691-B Preparation method of N- (2-hydroxyethyl) nicotinamide and preparation method of nicorandil 海口天行健药物研究有限公司 2024-03-08 CN claimed
CN-117486792-A Nicotil intermediate and preparation method thereof 北京四环科宝制药股份有限公司 2024-02-02 CN claimed
CN-116813540-A Refining method of nicorandil intermediate 上海旭东海普药业有限公司 2023-09-29 CN claimed
CN-116354878-A Synthesis method of nicorandil 长春大政药业科技有限公司 2023-06-30 CN claimed
CN-115745879-A Synthesis method of nicorandil, nicorandil for injection and preparation method thereof 海南皇隆制药股份有限公司 2023-03-07 CN claimed
CN-111269175-B Nicorandil preparation method 张家港九力新材料科技有限公司 2022-11-29 CN claimed
CN-114920691-A Preparation method of N- (2-hydroxyethyl) nicotinamide and preparation method of nicorandil 海口天行健药物研究有限公司 2022-08-19 CN claimed
WO-1991001331-A1 SMALL CYCLIC PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1991-02-07 WO claimed
EP-0333743-A1 USE OF NICORANDIL TO TREAT ALOPECIA THE UPJOHN COMPANY (US) 1989-09-27 EP claimed
WO-1988004171-A1 USE OF NICORANDIL TO TREAT ALOPECIA THE UPJOHN COMPANY (US) 1988-06-16 WO claimed
US-4680392-A Substituted caprolactam derivatives as antihypertensives MERCK & CO., INC. (US) 1987-07-14 US claimed
EP-0198311-A2 Nicotin amides and their use as fungicidal agents F. HOFFMANN-LA ROCHE AG (CH) 1986-10-22 EP claimed
US-4587050-A Substituted enantholactam derivatives as antihypertensives MERCK & CO., INC. (US) 1986-05-06 US claimed
EP-0074584-B1 PROLONGED-ACTION MULTIPLE-LAYER TABLETS Chugai Seiyaku Kabushiki Kaisha (JP) 1985-08-21 EP claimed
US-4454108-A Prolonged-action multiple-layer tablets CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1984-06-12 US claimed
EP-0074584-A2 Prolonged-action multiple-layer tablets Chugai Seiyaku Kabushiki Kaisha (JP) 1983-03-23 EP claimed
US-4200640-A TREATING CIRCULATORY DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1980-04-29 US claimed