SCHEMBL302712

SCHEMBL302712

O=[N+]([O-])C(Cl)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 6/20 0.42
LMNA P02545 1/20 0.42
GSR P00390 1/20 0.41
NPC1 O15118 1/20 0.39
ADAM17 P78536 1/20 0.39
TDP1 Q9NUW8 4/20 0.39
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HSD17B10 Q99714 1/20 0.37
FBP1 P09467 2/20 0.36
ACP3 P15309 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
SRC P12931 1/20 0.36
MAPK1 P28482 2/20 0.35
CASP7 P55210 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL10950701 0.77 TSHR (0.42) TSHRALDH1A1LMNAGSRNPC1
SCHEMBL3325718 0.77 TSHR (0.50) TSHRALDH1A1LMNATDP1KMT2A
SCHEMBL5716680 0.77 ALDH1A1 (0.50) TSHRALDH1A1LMNATDP1KMT2A
SCHEMBL10567133 0.75 LMNA (0.46) TSHRALDH1A1LMNAGSRNPC1
SCHEMBL8510918 0.75 LMNA (0.46) TSHRALDH1A1LMNAGSRNPC1
SCHEMBL6281430 0.75 LMNA (0.46) TSHRALDH1A1LMNAGSRNPC1
SCHEMBL146897 0.75 LMNA (0.46) TSHRALDH1A1LMNAGSRNPC1
SCHEMBL5604305 0.74 CYP1A2 (0.50) TSHRALDH1A1NPC1TDP1KMT2A
SCHEMBL1150553 0.73 LMNA (0.44) TSHRALDH1A1LMNAGSRNPC1
SCHEMBL11696138 0.73 LMNA (0.44) TSHRALDH1A1LMNAGSRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116478045-A Method for synthesizing nitrobenzoic acid by one-step oxidation of nitrobenzyl chloride 南昌大学 2023-07-25 CN claimed
CN-107417542-B A kind of 2,2 '-diamino bibenzyl preparation methods 甘肃皓天医药科技有限责任公司 2019-11-08 CN claimed
CN-107075105-B Moisture-curable, polyether carbonic ester containing alkoxysilyl 科思创德国股份有限公司 2019-09-13 CN claimed
CN-107056730-B A kind of synthetic method and its application of bupropion hydrochloride sustained release tablets impurity isomers 浙江普洛家园药业有限公司 2019-05-24 CN claimed
CN-109796458-A A kind of synthetic method of 1,8- diazabicyclo 淄博鸿润新材料有限公司 2019-05-24 CN claimed
CN-109678746-A A kind of anxiolytic Lorazepam intermediate simplicity synthesis technology 南京诺希生物科技有限公司 2019-04-26 CN claimed
CN-106008221-B A kind of synthetic method of adjacent nitro benzyl chloride 四川福思达生物技术开发有限责任公司 2019-04-19 CN claimed
CN-106008348-B A kind of method of synthesizing pyrazole kresoxim-methyl intermediate 四川福思达生物技术开发有限责任公司 2019-03-05 CN claimed
CN-108892648-A A kind of Lizakuputan benzoate intermediate process for solid phase synthesis 山东贵邦药业有限公司 2018-11-27 CN claimed
CN-106831814-B A kind of thieno [3,2-d] miazines HIV-1 reverse transcriptase inhibitor and its preparation method and application 山东大学 2018-11-23 CN claimed
US-5565602-A REACTING A HYDROCARBYL CHLORIDE WITH A CARBONYL SULFIDE AND AMINE IN PRESENCE OF A BASIC CATALYST PHILLIPS PETROLEUM COMPANY (US) 1996-10-15 US claimed
US-5126485-A Inhibition of dehalogenation during catalytic hydrogenation RHONE-POULENC CHIMIE (FR) 1992-06-30 US claimed
EP-0285294-B1 PHENYLHYDRAZONE DERIVATIVE OF OXAMIDE AND HERBICIDAL COMPOSITION CONTAINING THE SAME KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-07-03 EP claimed
EP-0360552-A2 The preparation of nitroesters via the reaction of nitroparaffins with cyanoformates W.R. Grace & Co.-Conn. (US) 1990-03-28 EP claimed
EP-0170090-B1 SUBSTITUTED BENZOATE ESTER PRODRUG DERIVATIVES OF 3-HYDROXYMORPHINANS, INTERMEDIATES THERETO, AND PROCESSES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-09-27 EP claimed
US-4866204-A OXIDATION WITH METAL ACETYLACETONATES, PORPYRINS OR PHTHALOCYANINE CATALYSTS NOBEL CHEMICALS AB (SE) 1989-09-12 US claimed
EP-0285294-A1 Phenylhydrazone derivative of oxamide and herbicidal composition containing the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-10-05 EP claimed
US-4283565-A REACTING A BENZYL HALIDE WITH A FORMATE, CONTACTING WITH AN ALCOHOL TO TRANSESTERIFY DYNAMIT NOBEL AG (DE) 1981-08-11 US claimed
US-4151165-A USING AN AROMATIC NITRO COMPOUND IN OXYGEN-FREE, AQUEOUS ENVIRONMENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1979-04-24 US claimed
US-4059610-A Process for preparing isocyanic acid derivatives KAO SOAP CO., LTD. (JA) 1977-11-22 US claimed