Methane

Methane

SCHEMBL27439754

C.O=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.79
MAPK1 P28482 2/20 0.79
SRD5A2 P31213 2/20 0.75
CES1 P23141 2/20 0.75
CES2 O00748 1/20 0.75
LMNA P02545 2/20 0.67
GAA P10253 1/20 0.67
ALOX5 P09917 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
TDP1 Q9NUW8 2/20 0.64
ALDH1A1 P00352 3/20 0.59
MAPT P10636 1/20 0.59
MEN1 O00255 1/20 0.59
NPC1 O15118 1/20 0.59
MITF O75030 1/20 0.59
RAB9A P51151 1/20 0.59
KMT2A Q03164 1/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
TSHR P16473 1/20 0.57

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
Methane SCHEMBL29286698 1.00 POLB (0.79) POLBMAPK1SRD5A2CES1CES2
SCHEMBL229627 0.98 POLB (0.82) POLBMAPK1SRD5A2CES1CES2
Benzophenone SCHEMBL28231509 0.98 POLB (0.82) POLBMAPK1SRD5A2CES1CES2
SCHEMBL27787062 0.96 POLB (0.79) POLBMAPK1SRD5A2CES1CES2
Ammonia Solution, Strong SCHEMBL27306146 0.96 POLB (0.79) POLBMAPK1SRD5A2CES1CES2
Bicarbonate SCHEMBL28244785 0.96 POLB (0.79) POLBMAPK1SRD5A2CES1CES2
Water SCHEMBL28104393 0.96 POLB (0.79) POLBMAPK1SRD5A2CES1CES2
Hydrogen Sulfide SCHEMBL28154722 0.96 POLB (0.79) POLBMAPK1SRD5A2CES1CES2
Hydrochloric Acid SCHEMBL28168308 0.96 POLB (0.79) POLBMAPK1SRD5A2CES1CES2
Phosphine SCHEMBL28037976 0.96 POLB (0.79) POLBMAPK1SRD5A2CES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106749286-B NN-bond-connected organic porous polymer material and preparation method thereof 北京理工大学 2019-06-11 CN claimed
CN-106749286-A NN-bond-connected organic porous polymer material and preparation method thereof 北京理工大学 2017-05-31 CN claimed
CN-106749286-B NN-bond-connected organic porous polymer material and preparation method thereof 北京理工大学 2019-06-11 CN disclosed
CN-106749286-B NN-bond-connected organic porous polymer material and preparation method thereof 北京理工大学 2019-06-11 CN disclosed
CN-109369576-A A method of efficiently synthesizing 3- methyl cyclobutane -3- base (4- nitrobenzophenone) carbonic ester 上海凌凯医药科技有限公司 2019-02-22 CN disclosed
CN-109195965-A The inhibitor that WDR5 protein-protein combines 普罗佩纶治疗公司 2019-01-11 CN disclosed
CN-108250080-A Containing azulene structure triaryl methane compounds, preparation method and its as the application in anti-oxidizing activities or antitumor drug 黑龙江中医药大学 2018-07-06 CN disclosed
CN-107660208-A Bifunctional cytotoxic agents comprising a CTI pharmacophore 辉瑞公司 2018-02-02 CN disclosed
CN-107223123-A BCL-XL inhibitory compound having low cell permeability and antibody drug conjugate including the same 艾伯维公司 2017-09-29 CN disclosed
CN-104045663-B The symmetrical hyperbranched silicone modified polymerizable compound of type and its modular manufacture method 信越化学工业株式会社 2017-07-14 CN disclosed
CN-106749286-A NN-bond-connected organic porous polymer material and preparation method thereof 北京理工大学 2017-05-31 CN disclosed
CN-106749286-A NN-bond-connected organic porous polymer material and preparation method thereof 北京理工大学 2017-05-31 CN disclosed
CN-106458847-A Novel diamine synthesis and liquid crystal aligning agent using the same 东进世美肯株式会社 2017-02-22 CN disclosed
CN-105873981-A Method of adding a catalyst in a melt polymerization process and the polycarbonate polymerized therefrom 沙特基础工业全球技术有限公司 2016-08-17 CN disclosed
CN-105837565-A ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION 赛诺菲 2016-08-10 CN disclosed
CN-1122577-A Radiolabeled platelet GPIIb/IIIa receptor antagonists as imaging agents for the diagnosis of thromboembolic disorders DU PONT MERCK PHARMA (US) 1996-05-15 CN disclosed