SCHEMBL333455

SCHEMBL333455

O=C(c1ccccc1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.73
CES2 O00748 1/20 0.70
CES1 P23141 1/20 0.70
ALDH1A1 P00352 4/20 0.66
TSHR P16473 3/20 0.66
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ATM Q13315 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HSP90AA1 P07900 2/20 0.60
MAPT P10636 2/20 0.60
HTT P42858 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
MITF O75030 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MAPK1 P28482 2/20 0.59
POLB P06746 1/20 0.59
PRSS1 P07477 1/20 0.57
PRSS2 P07478 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
Phosphine SCHEMBL28281304 0.98 TP53 (0.71) TP53CES2CES1ALDH1A1TSHR
SCHEMBL28217890 0.98 TP53 (0.71) TP53CES2CES1ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL27493385 0.98 TP53 (0.71) TP53CES2CES1ALDH1A1TSHR
Hydrogen Sulfide SCHEMBL27626885 0.98 TP53 (0.71) TP53CES2CES1ALDH1A1TSHR
SCHEMBL11295596 0.98 TP53 (0.71) TP53CES2CES1ALDH1A1TSHR
Benzene SCHEMBL28121215 0.98 TP53 (0.71) TP53CES2CES1ALDH1A1TSHR
SCHEMBL27787065 0.98 TP53 (0.71) TP53CES2CES1ALDH1A1TSHR
SCHEMBL28129120 0.98 TP53 (0.71) TP53CES2CES1ALDH1A1TSHR
Methane SCHEMBL28239824 0.98 TP53 (0.71) TP53CES2CES1ALDH1A1TSHR
Bicarbonate SCHEMBL27282989 0.98 TP53 (0.71) TP53CES2CES1ALDH1A1TSHR

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 1308 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112608283-B Preparation method of nitrazepam 华中药业股份有限公司 2022-08-02 CN claimed
CN-114163448-A Host material based on naphtho five-membered heterocycle and benzo five-membered heterocycle, preparation method thereof and organic light-emitting device 北京大学深圳研究生院 2022-03-11 CN claimed
CN-112795017-A Preparation method of silicone rubber with polar functional groups 张爱民 2021-05-14 CN claimed
CN-109467569-B Synthetic method of 3-aminophenylboronic acid 沧州普瑞东方科技有限公司 2021-01-05 CN claimed
CN-109935468-B Electrolyte for ultralow-temperature high-voltage patch type aluminum capacitor and preparation method thereof 湖州一力电子有限公司 2020-03-17 CN claimed
CN-110511191-A A kind of fluorescence probe and the preparation method and application thereof detecting Water in Organic Solvents content UNIV CHINA MINING 2019-11-29 CN claimed
CN-108503640-B Sparteine derivative and preparation method thereof and the utilization in pesticide 广西田园生化股份有限公司 2019-11-12 CN claimed
CN-110407836-A A kind of 9-(2- methoxy ethyl) -9H- purine -6- amine derivative and its application SHENYANG RES INSTITUTE OF CHEMICAL INDUSTRY CO LTD 2019-11-05 CN claimed
CN-110240533-A The preparation method of N, N- dimethyl sulfonamide analog derivative 河南科技大学 2019-09-17 CN claimed
CN-110218167-A N, N- dimethyl aromatic radical sulfonic acid amide derivatives and its application in terms of preventing and treating Meloidogyne incognita 河南科技大学 2019-09-10 CN claimed
CN-1436077-A stable pharmaceutical composition containing calcium blocker SANKYO CO (JP) 2003-08-13 CN claimed
CN-1365609-A Antimicrobe compound and its use method ROHM & HAAS (US) 2002-08-28 CN claimed
CN-1349796-A Pyrrole derivatives and medicine composition NIPPON SHINYAKU CO LTD (JP) 2002-05-22 CN claimed
CN-1323295-A Azabicyclic compounds for modulating cell adhesion inhibition AVENTIES PHARMACEUTICAL LTD (GB) 2001-11-21 CN claimed
CN-1060778-C Cephalosporin derivatives HOFFMANN LA ROCHE (CH) 2001-01-17 CN claimed
CN-1190345-A Use of 1,4-dihydropyridine derivative in prevention and therapy of atherosclerotic degradation of arterial walls RECORDATI CHEM PHARM (CH) 1998-08-12 CN claimed
CN-1182536-A Concerted weedicide composition ROHM & HAAS (US) 1998-05-27 CN claimed
CN-1037568-C Phosphosulfonate herbicides ROHM & HAAS (US) 1998-03-04 CN claimed
CN-1173282-A Herbicidal method utilizing phosphosulfonate herbicides and oxime ether safeners ROHM & HAAS (US) 1998-02-18 CN claimed
CN-1133120-A Combination containing phosphine sulfonate ester herbicide and dichloro acetamide safety agent ROHM & HAAS (US) 1996-10-16 CN claimed