SCHEMBL3140451

SCHEMBL3140451

N/C(=C/C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.61
HDAC1 Q13547 2/20 0.57
HDAC2 Q92769 2/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 5/20 0.54
TDP1 Q9NUW8 2/20 0.54
MAPK1 P28482 1/20 0.54
HDAC3 O15379 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
MAPT P10636 4/20 0.52
RECQL P46063 3/20 0.52
TSHR P16473 2/20 0.52
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.52
PARP1 P09874 1/20 0.52
CYP2C19 P33261 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL3140459 1.00 NFE2L2 (0.61) NFE2L2HDAC1HDAC2MEN1KMT2A
SCHEMBL29089429 1.00 NFE2L2 (0.61) NFE2L2HDAC1HDAC2MEN1KMT2A
SCHEMBL11115893 0.98 NFE2L2 (0.59) NFE2L2HDAC1HDAC2MEN1KMT2A
SCHEMBL11115897 0.98 NFE2L2 (0.59) NFE2L2HDAC1HDAC2MEN1KMT2A
SCHEMBL29089413 0.92 NFE2L2 (0.53) NFE2L2HDAC1HDAC2MEN1KMT2A
SCHEMBL29089423 0.90 NFE2L2 (0.52) NFE2L2HDAC1HDAC2MEN1KMT2A
SCHEMBL29089427 0.89 POLB (0.55) NFE2L2HDAC1HDAC2MEN1KMT2A
SCHEMBL29089411 0.89 MAPT (0.51) NFE2L2HDAC1HDAC2MEN1KMT2A
SCHEMBL29089415 0.89 MAPT (0.51) NFE2L2HDAC1HDAC2MEN1KMT2A
SCHEMBL29089436 0.89 CYP1B1 (0.53) NFE2L2HDAC1HDAC2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075431-A1 FORMALDEHYDE DETECTOR BODY, FORMALDEHYDE DETECTOR, FORMALDEHYDE DETECTION METHOD AND FORMALDEHYDE DETECTION REAGENT DAIKIN INDUSTRIES, LTD. (JP) 2010-03-25 US claimed
EP-2085769-A1 FORMALDEHYDE DETECTING MATERIAL, FORMALDEHYDE DETECTOR, FORMALDEHYDE DETECTING METHOD AND FORMALDEHYDE DETECTING REAGENT Daikin Industries, Ltd. (JP) 2009-08-05 EP claimed
CN-116496201-A Preparation method of aza spirocyclic ketone compound and dihydroxyl hydroindole compound 昆明理工大学 2023-07-28 CN disclosed
US-20100075431-A1 FORMALDEHYDE DETECTOR BODY, FORMALDEHYDE DETECTOR, FORMALDEHYDE DETECTION METHOD AND FORMALDEHYDE DETECTION REAGENT DAIKIN INDUSTRIES, LTD. (JP) 2010-03-25 US disclosed
EP-2085769-A1 FORMALDEHYDE DETECTING MATERIAL, FORMALDEHYDE DETECTOR, FORMALDEHYDE DETECTING METHOD AND FORMALDEHYDE DETECTING REAGENT Daikin Industries, Ltd. (JP) 2009-08-05 EP disclosed
US-4565824-A Certain nitratoalkyl ester dihydropyridines having antihypertensive properties BAYER AKTIENGESELLSCHAFT (DE) 1986-01-21 US disclosed
US-4551467-A Vasodilating cyanoalkyl esters of 1,4-dihydropyridines BAYER AKTIENGESELLSCHAFT (DE) 1985-11-05 US disclosed
EP-0110259-A1 1,4-Dihydropyridines, processes for their preparation and their use in medicines BAYER AG (DE) 1984-06-13 EP disclosed
US-4248873-A Nitro-substituted 1,4-dihydropyridines, processes for _their production and their medicinal use BAYER AKTIENGESELLSCHAFT (DE) 1981-02-03 US disclosed
EP-0012180-A1 1,4-Dihydropyridine compounds, their preparation, pharmaceutical compositions containing said compounds and preparation of these compositions BAYER AG (DE) 1980-06-25 EP disclosed
US-4179500-A 1,4-Dihydropyridine-sugar derivatives, and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1979-12-18 US disclosed
EP-0002208-A1 Nitro 1,4-dihydropyridines, medicaments containing them and their manufacture BAYER AG (DE) 1979-06-13 EP disclosed
EP-0001769-A1 Sulfur-containing esters of 1,4-dihydropyridine carboxylic acids, their preparation and pharmaceutical use BAYER AG (DE) 1979-05-16 EP disclosed