SCHEMBL541489

SCHEMBL541489

Cc1cccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.72
ALDH1A1 P00352 3/20 0.72
TSHR P16473 6/20 0.62
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.47
KAT2B Q92831 1/20 0.44
CYP3A4 P08684 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL27645573 0.88 TSHR (0.64) TDP1ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL8565115 0.87 TSHR (0.79) TDP1ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL635089 0.84 ALDH1A1 (1.00) TDP1ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL670917 0.84 TSHR (0.58) TDP1ALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL28521563 0.82 ALDH1A1 (0.95) TDP1ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL7784706 0.81 ALDH1A1 (0.56) TDP1ALDH1A1TSHRHSD17B10CYP3A4
Toluene SCHEMBL28853124 0.80 ALDH1A1 (0.50) TDP1ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL16174899 0.79 KMT2A (0.52) TDP1ALDH1A1TSHRSMN1; SMN2KAT2B
SCHEMBL27930239 0.79 ALDH1A1 (0.79) TDP1ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL10781267 0.79 ALDH1A1 (0.64) TDP1ALDH1A1TSHRSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113754543-B Method for separating high-boiling-point isomer by utilizing gas phase adsorption of hierarchical pore silicon molecular sieve 南京工业大学 2022-09-20 CN claimed
CN-111217779-B Synthetic method of 3-methyl-4-nitro-dibenzofuran 西安瑞联新材料股份有限公司 2022-03-01 CN claimed
CN-111217779-A Synthetic method of 3-methyl-4-nitro-dibenzofuran 西安瑞联新材料股份有限公司 2020-06-02 CN claimed
CN-108484497-A A kind of synthetic method of 3- amino -7- chloroquinolines 苏州康润医药有限公司 2018-09-04 CN claimed
EP-1928928-B1 METHOD FOR THE PRODUCTION OF POLYISOCYANATES HUNTSMAN INT LLC (US) 2018-02-21 EP claimed
CN-101475486-B Preparation method of 3-chlorine-2-nitrotoluene SHANGHAI INST TECHNOLOGY 2011-08-03 CN claimed
US-7651885-B2 Electronic device fabrication process XEROX CORPORATION (US) 2010-01-26 US claimed
EP-2024278-B1 METHOD FOR THE COUPLED PRODUCTION OF CHLORINE AND ISOCYANATES BAYER MATERIALSCIENCE AG (DE) 2009-10-28 EP claimed
CN-101475486-A Preparation method of 3-chlorine-2-nitrotoluene SHANGHAI INST TECHNOLOGY (CN) 2009-07-08 CN claimed
US-20080249202-A1 Method for the Production of Polyisocyanates HUNTSMAN INTERNATIONL LLC (US) 2008-10-09 US claimed
US-20070265466-A1 Process for the coupled production of chlorline and isocyanates BAYER MATERIALSCIENCE AG 2007-11-15 US claimed
US-20070141747-A1 Electronic device fabrication process XEROX CORPORATION 2007-06-21 US claimed
EP-1033361-B1 Process for the preparation of amines BASF AG (DE) 2002-12-04 EP claimed
US-6140539-A Preparation of amines BASF AKTIENGESELLSCHAFT (DE) 2000-10-31 US claimed
US-4866204-A OXIDATION WITH METAL ACETYLACETONATES, PORPYRINS OR PHTHALOCYANINE CATALYSTS NOBEL CHEMICALS AB (SE) 1989-09-12 US claimed
JP-2009842-A None JP disclosed
CN-118994041-A Compound, latent ultraviolet absorber, composition, cured product, and method for producing cured product 株式会社艾迪科 2024-11-22 CN disclosed
US-4056444-A DISTILLATION, HEAT EXCHANGE BAYER AKTIENGESELLSCHAFT (DT) 1977-11-01 US disclosed
US-3989756-A RANEY CATALYST, DEHALOGENATION INHIBITOR NIPPON KAYAKU KABUSHIKI KAISHA (JA) 1976-11-02 US disclosed
US-3966830-A SILICA, ALUMINA TEIJIN LIMITED (JA) 1976-06-29 US disclosed