SCHEMBL1403047

SCHEMBL1403047

N#CCC(=O)NC1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.68
POLB P06746 1/20 0.65
GAA P10253 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
EPHX1 P07099 6/20 0.55
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 2/20 0.53
NPSR1 Q6W5P4 1/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
CYP3A4 P08684 2/20 0.50
EPHX2 P34913 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP2C19 P33261 1/20 0.47

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
SCHEMBL6321675 1.00 KMT2A (0.68) KMT2APOLBGAATDP1EPHX1
SCHEMBL15797043 0.98 KMT2A (0.70) KMT2APOLBGAATDP1EPHX1
SCHEMBL6322623 0.94 KMT2A (0.70) KMT2APOLBGAATDP1EPHX1
SCHEMBL1963069 0.90
SCHEMBL9129119 0.82 KMT2A (0.71) KMT2APOLBGAATDP1EPHX1
SCHEMBL9129124 0.82 KMT2A (0.71) KMT2APOLBGAATDP1EPHX1
SCHEMBL9442180 0.82 KMT2A (0.55) KMT2APOLBGAATDP1EPHX1
SCHEMBL8410897 0.82 EPHX1 (0.57) KMT2APOLBGAATDP1EPHX1
SCHEMBL14654974 0.81 KMT2A (0.69) KMT2APOLBGAATDP1EPHX1
SCHEMBL22436470 0.81 KMT2A (0.64) KMT2APOLBGAATDP1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4340708-A ACRYLIC ESTERS AND A CYANO-ACETIC ACID, ESTOR OR AMIDE IS PRESSENT HENKEL KOMANDITGESELLSCHAFT AUF AKTIEN (DE) 1982-07-20 US claimed
CN-118946553-A SARM1 inhibitor compound, pharmaceutical composition comprising the same, and preparation method and use thereof 深圳众格生物科技有限公司 2024-11-12 CN disclosed
WO-2023193809-A1 SARM1 INHIBITOR COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND PREPARATION METHOD THEREFOR AND USES THEREOF 深圳众格生物科技有限公司 2023-10-12 WO disclosed
WO-2020249821-A1 NOVEL ARGINASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-12-17 WO disclosed
EP-3141252-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Inc. (US) 2017-03-15 EP disclosed
EP-2038268-B1 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2015-11-04 EP disclosed
US-8344016-B2 Pyrazole derivatives as 11-beta-HSD1 inhibitors ASTRAZENECA AB (SE) 2013-01-01 US disclosed
US-8344016-B2 Pyrazole derivatives as 11-beta-HSD1 inhibitors ASTRAZENECA AB (SE) 2013-01-01 US disclosed
US-8344016-B2 Pyrazole derivatives as 11-beta-HSD1 inhibitors ASTRAZENECA AB (SE) 2013-01-01 US disclosed
WO-2012158843-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-22 WO disclosed
US-4342705-A CONTAINING CARBONYL OR CYANO FUNCTIONAL GROUPS, USEFUL AS VULCANIZATION INHIBITORS MONSANTO COMPANY (US) 1982-08-03 US disclosed
EP-0029719-A1 Vulcanizable rubber compositions inhibited from premature vulcanization by methylene thioethers, and novel methylene thioethers MONSANTO COMPANY (US) 1981-06-03 EP disclosed
US-4271050-A Vulcanizable rubber compositions inhibited from premature vulcanization by methylene thioethers MONSANTO COMPANY (US) 1981-06-02 US disclosed
US-4208324-A Disperse diaminopyridine-3-azo dyestuffs CIBA-GEIGY CORPORATION (US) 1980-06-17 US disclosed
US-4172944-A Water insoluble styryl dyestuffs having hetero-aryl methylene substituent BAYER AKTIENGESELLSCHAFT (DE) 1979-10-30 US disclosed
US-4098598-A PLANT GROWTH REGULATORS HOFFMANN-LA ROCHE INC. (US) 1978-07-04 US disclosed
US-4066637-A BASIC DIAMINOPYRIDINE-(3)-AZO DYESTUFFS CIBA-GEIGY CORPORATION (US) 1978-01-03 US disclosed
US-4028089-A BENZOXAZOLINYLIDENE-MALONITRILE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 1977-06-07 US disclosed
US-4016191-A WATER INSOLUBLE; LIGHTFASTNESS BAYER AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed
US-3985763-A DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-10-12 US disclosed