SCHEMBL171914

SCHEMBL171914

Cc1ccc(C)c([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.72
CYP3A4 P08684 2/20 0.72
ALDH1A1 P00352 4/20 0.64
RECQL P46063 1/20 0.64
HSD17B10 Q99714 2/20 0.56
GPR35 Q9HC97 1/20 0.54
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
TDP1 Q9NUW8 1/20 0.48
ACHE P22303 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KAT2B Q92831 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
CRHBP P24387 1/20 0.47

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
SCHEMBL29613904 1.00 TSHR (0.72) TSHRCYP3A4ALDH1A1RECQLHSD17B10
Ethylene Glycol SCHEMBL20567147 0.90 TSHR (0.60) TSHRCYP3A4ALDH1A1RECQLHSD17B10
O-Tolylamine SCHEMBL28294975 0.84 TSHR (0.62) TSHRCYP3A4ALDH1A1RECQLHSD17B10
SCHEMBL294724 0.84 TSHR (1.00) TSHRCYP3A4ALDH1A1RECQLHSD17B10
SCHEMBL9999827 0.84 ALDH1A1 (0.56) TSHRCYP3A4ALDH1A1RECQLHSD17B10
SCHEMBL557939 0.82 TSHR (0.72) TSHRCYP3A4ALDH1A1RECQLHSD17B10
SCHEMBL7190826 0.82 TSHR (0.64) TSHRCYP3A4ALDH1A1RECQLHSD17B10
SCHEMBL11189916 0.82 TSHR (0.72) TSHRCYP3A4ALDH1A1RECQLHSD17B10
SCHEMBL23293742 0.80 TSHR (0.62) TSHRCYP3A4ALDH1A1RECQLHSD17B10
SCHEMBL48806 0.80 ALDH1A1 (0.69) TSHRCYP3A4ALDH1A1RECQLHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117487421-B Water-based ceramic particle heat-insulating paint and preparation method thereof 宜兴汉光高新石化有限公司 2024-06-25 CN claimed
CN-117487421-A Water-based ceramic particle heat-insulating paint and preparation method thereof 宜兴汉光高新石化有限公司 2024-02-02 CN claimed
CN-115728419-A Detection method for simultaneously determining multiple potential genotoxic impurities of bupivacaine hydrochloride 江苏威奇达药业有限公司 2023-03-03 CN claimed
CN-109232257-B Method and device for preparing methyl nitrobenzene in pipeline mode 浙江工业大学 2021-03-09 CN claimed
CN-111170851-A Preparation of acetic acid-2, 5-dimethylphenyl ester and 2, 5-dimethylnitrobenzene by one-pot method 蚌埠学院 2020-05-19 CN claimed
CN-106995374-B Method for preparing nitroaromatic acid/nitro alpha-aryl alcohol by oxidizing substituted alkyl nitrobenzene with oxygen 浙江工业大学 2019-11-29 CN claimed
CN-109232257-A Pipeline prepares the method and device of methyl nitrobenzene 浙江工业大学 2019-01-18 CN claimed
CN-106995374-A Method for preparing nitroaromatic acid/nitro alpha-aryl alcohol by oxidizing substituted alkyl nitrobenzene with oxygen 浙江工业大学 2017-08-01 CN claimed
CN-106746456-A A kind of sludge dehydration device and its method of work based on Controlled by Programmable Controller 徐州工程学院 2017-05-31 CN claimed
CN-106069689-A A kind of soilless culture of flowers device and method of work thereof 徐州工程学院 2016-11-09 CN claimed
US-5130464-A Reaction of aromatic nitro and amine with carbon monoxide in the presence of a catalyst NKK CORPORATION (JP) 1992-07-14 US claimed
EP-0385441-A1 Marker for petroliferous products ACNA CHIMICA ORGANICA S.P.A. (IT) 1990-09-05 EP claimed
US-4906771-A Process for catalytic oxidation of ortho-nitroaromatic compounds to ortho-nitroaromatic acids AMOCO CORPORATION (US) 1990-03-06 US claimed
US-4405812-A NICKEL CATALYST ETHYL CORPORATION (US) 1983-09-20 US claimed
US-4256670-A Production of amino substituted aromatic compounds UOP INC. (US) 1981-03-17 US claimed
US-4198350-A Amination/demethylation process STANDARD OIL COMPANY (INDIANA) (US) 1980-04-15 US claimed
US-4171425-A ANIONIC CATALYST, 2-PYRROLIDONE OR E-CAPROLACTAM CHEVRON RESEARCH COMPANY (US) 1979-10-16 US claimed
US-4170708-A FROM AN AROMATIC NITRO COMPOUND, AN ALCOHOL, AND CARBON MONOXIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1979-10-09 US claimed
US-4072194-A CURING, AROMATIC DILUENTS, WELL BORES HALLIBURTON COMPANY (US) 1978-02-07 US claimed
US-3960801-A SEALING OF SUBTERREAN ZONE, CURING HALLIBURTON COMPANY (US) 1976-06-01 US claimed