Ethane

Ethane

SCHEMBL28047378

CC.NCc1ccccc1CC(N)=O

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PNMT P11086 1/20 0.40
CYP2D6 P10635 1/20 0.40
OPRK1 P41145 1/20 0.40
ICMT O60725 1/20 0.38
DPP4 P27487 2/20 0.38
CA2 P00918 1/20 0.38
AKR1B1 P15121 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
BRD4 O60885 1/20 0.35

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
SCHEMBL3051422 0.96 KDM4E (0.43) KDM4ESMN1; SMN2PNMTCYP2D6OPRK1
SCHEMBL10339218 0.87 AKR1B1 (0.46) KDM4ESMN1; SMN2CYP2D6ICMTCA2
SCHEMBL27597225 0.85 BRD4 (0.44) KDM4ESMN1; SMN2PNMTCYP2D6OPRK1
Benzene SCHEMBL15265833 0.84 AKR1B1 (0.50) SMN1; SMN2CYP2D6CA2AKR1B1GAA
SCHEMBL2590889 0.83 GABRA1 (0.44) KDM4EICMTCA2AKR1B1GAA
SCHEMBL8109115 0.81 L3MBTL1 (0.49) KDM4ESMN1; SMN2PNMTCYP2D6OPRK1
SCHEMBL27734152 0.81 L3MBTL1 (0.53) ICMTCA2AKR1B1GAANPSR1
SCHEMBL27305309 0.81 PNMT (0.46) KDM4ESMN1; SMN2PNMTCYP2D6OPRK1
Carbamic Acid SCHEMBL29501768 0.80 KDM4E (0.52) KDM4ESMN1; SMN2PNMTCYP2D6DPP4
Hydrochloric Acid SCHEMBL11249655 0.79 PNMT (0.45) KDM4ESMN1; SMN2PNMTCYP2D6OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106572658-B Molecule and relative intermediate, composition and method with certain disinsection efficiencies 美国陶氏益农公司 2019-11-08 CN disclosed
CN-105062917-B Microbial inoculum and the application of a kind of chloro-acetyl amine herbicide degradation bacterial strain and its production 南京农业大学 2018-08-31 CN disclosed
CN-105198548-B Biological organic fertilizer and its preparation method and application with degradation Acetochlor effect 山东省农业科学院农产品研究所 2018-08-17 CN disclosed
CN-107835638-A Herbicidal combinations comprising cinmethylin and Acetochlor or pretilachlor 巴斯夫农业公司 2018-03-23 CN disclosed
CN-106572658-A Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto 美国陶氏益农公司 2017-04-19 CN disclosed
CN-105198548-A Bio-organic fertilizer with acetochlor degradation function and preparation method and application thereof INST AGRO FOOD SCIENCE & TECHNOLOGY SHANDONG ACADEMY AGRICULTURAL SCIENCES 2015-12-30 CN disclosed