SCHEMBL28055751

SCHEMBL28055751

OC1(O)C=CN=C(c2ccccn2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.42
LMNA P02545 4/20 0.42
POLB P06746 2/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
CYP1A2 P05177 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
NPC1 O15118 7/20 0.37
RAB9A P51151 6/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
TP53 P04637 4/20 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
Hydrochloric Acid SCHEMBL30022974 0.98 KDM4E (0.41) KDM4ELMNAPOLBCCR1CCR5
SCHEMBL28452296 0.84 KDM4E (0.39) KDM4ELMNAPOLBCCR1CCR5
SCHEMBL27225878 0.80 KDM4E (0.42) KDM4ELMNAPOLBCCR1CCR5
SCHEMBL435396 0.80 KDM4E (0.42) KDM4ELMNAPOLBCCR1CCR5
SCHEMBL7589592 0.80 KDM4E (0.42) KDM4ELMNAPOLBCCR1CCR5
SCHEMBL28575256 0.79 KDM4E (0.41) KDM4ELMNAPOLBCCR1CCR5
Hydrochloric Acid SCHEMBL38657196 0.79 KDM4E (0.41) KDM4ELMNAPOLBCCR1CCR5
SCHEMBL2291421 0.78 KDM4E (0.42) KDM4ELMNAPOLBCCR1CCR5
SCHEMBL1311501 0.78 KDM4E (0.39) KDM4ELMNAPOLBCCR1CCR5
SCHEMBL28603183 0.78 KDM4E (0.39) KDM4ELMNAPOLBCCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112250879-B Method for synthesizing ginkgo leaf polyprenol metal complex with light-operated activity 中国林业科学研究院林产化学工业研究所 2022-06-28 CN claimed
CN-112250879-A Method for synthesizing ginkgo leaf polyprenol metal complex with light-operated activity 中国林业科学研究院林产化学工业研究所 2021-01-22 CN claimed
CN-118763234-A O-phenanthroline-based organic porous material and oxygen reduction material co-modified by transition metal and micromolecular ligand 三峡大学 2024-10-11 CN disclosed
US-20230147963-A1 FORMATE PRODUCTION METHOD AND FORMATE PRODUCTION SYSTEM NITTO DENKO CORPORATION (JP) 2023-05-11 US disclosed
EP-4122910-A1 FORMATE PRODUCTION METHOD AND FORMATE PRODUCTION SYSTEM NITTO DENKO CORPORATION (JP) 2023-01-25 EP disclosed
CN-115279723-A Method for producing formate and system for producing formate 日东电工株式会社 2022-11-01 CN disclosed
CN-112250879-B Method for synthesizing ginkgo leaf polyprenol metal complex with light-operated activity 中国林业科学研究院林产化学工业研究所 2022-06-28 CN disclosed
CN-112250879-A Method for synthesizing ginkgo leaf polyprenol metal complex with light-operated activity 中国林业科学研究院林产化学工业研究所 2021-01-22 CN disclosed
CN-105732265-B Carbon two selective hydrogenation method in sequential separation process 中国石油天然气股份有限公司 2019-07-05 CN disclosed
CN-105732269-B Selective hydrogenation method for carbon two-fraction in sequential separation process 中国石油天然气股份有限公司 2019-04-09 CN disclosed
CN-105732270-B Front hydrogenation method for trace acetylene in methanol-to-olefin device 中国石油天然气股份有限公司 2019-04-05 CN disclosed
CN-105727992-A Palladium-nickel series supported hydrogenation catalyst 中国石油天然气股份有限公司 2016-07-06 CN disclosed
CN-105727945-A Palladium-silver series supported hydrogenation catalyst 中国石油天然气股份有限公司 2016-07-06 CN disclosed
CN-105732261-A Selective hydrogenation method for trace acetylene in methanol-to-olefin device 中国石油天然气股份有限公司 2016-07-06 CN disclosed
CN-105732272-A Selective hydrogenation method for trace acetylene in methanol-to-olefin device 中国石油天然气股份有限公司 2016-07-06 CN disclosed
CN-105732281-A Pre-depropanization pre-hydrogenation method for carbon-dioxide fraction 中国石油天然气股份有限公司 2016-07-06 CN disclosed
CN-105732282-A Carbon two selective hydrogenation method in sequential separation flow 中国石油天然气股份有限公司 2016-07-06 CN disclosed
CN-105732268-A Hydrogenation method of trace acetylene in methanol-to-olefin device 中国石油天然气股份有限公司 2016-07-06 CN disclosed
CN-105732269-A Selective hydrogenation method for carbon two-fraction in sequential separation process 中国石油天然气股份有限公司 2016-07-06 CN disclosed
CN-105732277-A Method for pre-depropanizing and pre-hydrogenating carbon-containing fraction 中国石油天然气股份有限公司 2016-07-06 CN disclosed