SCHEMBL772362

SCHEMBL772362

Cc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.58
CYP3A4 P08684 3/20 0.58
CYP1A2 P05177 2/20 0.58
ALDH1A1 P00352 4/20 0.55
MAPT P10636 4/20 0.55
TDP1 Q9NUW8 3/20 0.55
HTT P42858 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
HPGD P15428 2/20 0.55
HSP90AA1 P07900 1/20 0.55
PKM P14618 1/20 0.55
CCR6 P51684 1/20 0.55
NLRP1 Q9C000 1/20 0.55
HSD17B10 Q99714 1/20 0.54
GPR35 Q9HC97 2/20 0.52
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GRIN2D O15399 1/20 0.46

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
SCHEMBL30313522 1.00 TSHR (0.58) TSHRCYP3A4CYP1A2ALDH1A1MAPT
SCHEMBL799656 0.89 TSHR (0.54) TSHRCYP3A4CYP1A2ALDH1A1MAPT
SCHEMBL2352240 0.89 TSHR (0.54) TSHRCYP3A4CYP1A2ALDH1A1MAPT
SCHEMBL29479089 0.89 TSHR (0.54) TSHRCYP3A4CYP1A2ALDH1A1MAPT
SCHEMBL8053279 0.88 TSHR (0.58) TSHRCYP3A4CYP1A2ALDH1A1MAPT
SCHEMBL11554386 0.87 CYP1A2 (0.52) TSHRCYP3A4CYP1A2ALDH1A1MAPT
SCHEMBL772346 0.83 CYP3A4 (0.55) TSHRCYP3A4CYP1A2ALDH1A1MAPT
SCHEMBL4368022 0.83 GPR35 (0.54) TSHRCYP3A4CYP1A2ALDH1A1MAPT
SCHEMBL8185418 0.83 CYP1A2 (0.48) TSHRCYP3A4CYP1A2ALDH1A1MAPT
SCHEMBL12593915 0.83 TDP1 (0.52) TSHRCYP3A4CYP1A2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374214-A1 Mixed Aromatic Amine Monomers And Polymers Thereof ExxonMobil Technology and Engineering Company (US) 2023-11-23 US disclosed
US-20230374214-A1 Mixed Aromatic Amine Monomers And Polymers Thereof ExxonMobil Technology and Engineering Company (US) 2023-11-23 US disclosed
CN-111212827-B Increasing catalyst selectivity in continuous hydrogenation of nitro compounds by adding ammonia 巴斯夫欧洲公司 2023-11-17 CN disclosed
CN-116323548-A Mixed aromatic amine monomers and polymers thereof 埃克森美孚技术与工程公司 2023-06-23 CN disclosed
CN-109803949-B Catalyst modification using alkali metal ions, alkaline earth metal ions or rare earth metal ions in the continuous liquid phase hydrogenation of nitro compounds 巴斯夫欧洲公司 2023-04-14 CN disclosed
EP-3492104-B1 USE OF 10H-BENZO [G] PTERIDIN-2,4-DION DERIVATIVES TRIOPTOTEC GMBH (DE) 2023-02-15 EP disclosed
EP-3586632-B1 10H-BENZO[G]PTERIDINE-2,4-DIONE DERIVATIVES, METHOD FOR PRODUCING SAME AND USE OF SAME TRIOPTOTEC GMBH (DE) 2022-09-28 EP disclosed
US-11339115-B2 Increasing the catalyst selectivity in the continuous hydrogenation of nitro compounds by adding ammonia BASF SE (DE) 2022-05-24 US disclosed
EP-3838902-A1 10H-BENZO[G]PTERIDINE-2,4-DIONE DERIVATIVES, METHOD FOR PRODUCING SAME AND USE OF SAME TriOptoTec GmbH (DE) 2021-06-23 EP disclosed
EP-3523271-B1 CATALYST MODIFICATION WITH ALKALINE METAL, ALKALINE EARTH METAL OR RARE EARTH METAL IONS IN CONTINUOUS LIQUID PHASE HYDRATION OF NITRO COMPOUNDS BASF SE (DE) 2020-12-09 EP disclosed
EP-0035752-A1 Process for the preparation of urethanes BAYER AG (DE) 1981-09-16 EP disclosed
US-4262130-A Process for the production of urethanes BAYER AKTIENGESELLSCHAFT (DE) 1981-04-14 US disclosed
EP-0005226-B1 PROCESS FOR THE MANUFACTURE OF URETHANES BAYER AG (DE) 1980-11-12 EP disclosed
EP-0016949-A1 Process for preparing urethanes BAYER AG (DE) 1980-10-15 EP disclosed
EP-0016346-A1 Process for preparing urethanes BAYER AG (DE) 1980-10-01 EP disclosed
EP-0014845-A1 Process for the preparation of urethanes BAYER AG (DE) 1980-09-03 EP disclosed
US-4219661-A FROM THE NITRO COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1980-08-26 US disclosed
US-4216320-A Quinoxaline bleach catalysts CIBA-GEIGY AG (CH) 1980-08-05 US disclosed
EP-0005226-A1 Process for the manufacture of urethanes BAYER AG (DE) 1979-11-14 EP disclosed
US-4145217-A DYE BLEACH CATALYST CIBA-GEIGY AG (CH) 1979-03-20 US disclosed