SCHEMBL7369896

SCHEMBL7369896

COC(=O)c1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
GPR35 Q9HC97 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 8/20 0.50
MAPK1 P28482 3/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GLA P06280 1/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
CTSD P07339 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
SCHEMBL8421994 0.90 ALDH1A1 (0.55) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL828466 0.86 GPR35 (0.55) TSHRGPR35SMN1; SMN2KMT2AALDH1A1
SCHEMBL5072683 0.86 GPR35 (0.55) TSHRGPR35SMN1; SMN2MEN1KMT2A
Methyl Benzoate SCHEMBL30572450 0.85 TSHR (0.57) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL14933431 0.85 TSHR (0.56) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10688420 0.85 SIRT6 (0.48) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6551228 0.85 TSHR (0.56) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL307312 0.85 TSHR (0.70) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL29959661 0.85 TSHR (0.70) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL195311 0.84 ALDH1A1 (0.62) TSHRSMN1; SMN2KMT2AALDH1A1MAPK1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4506089-A TREATMENT OF ISOMER MIXTURE WITH AN EMULSIFIER BASF AKTIENGESELLSCHAFT (DE) 1985-03-19 US claimed
CN-117776942-A Method for preparing diaminobenzoic acid based on dinitrobenzoic acid 清源创新实验室 2024-03-29 CN disclosed
CN-109071411-B Method for producing nitrobenzene compound 组合化学工业株式会社 2021-08-27 CN disclosed
EP-3456705-B1 METHOD FOR PRODUCING NITROBENZENE COMPOUND KUMIAI CHEMICAL INDUSTRY CO (JP) 2020-12-16 EP disclosed
EP-3456705-A1 METHOD FOR PRODUCING NITROBENZENE COMPOUND Kumiai Chemical Industry Co., Ltd. (JP) 2019-03-20 EP disclosed
EP-3015451-B1 METHOD FOR PRODUCING NITROBENZENE COMPOUND KUMIAI CHEMICAL INDUSTRY CO (JP) 2018-01-17 EP disclosed
EP-3015451-A1 METHOD FOR MANUFACTURING NITROBENZENE COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2016-05-04 EP disclosed
CN-1735592-A Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LTD (GB) 2006-02-15 CN disclosed
WO-2001074786-A1 HETEROBIARYLSULPHONAMIDES AND THEIR USE AS PDE 7 INHIBITORS DARWIN DISCOVERY LIMITED (GB) 2001-10-11 WO disclosed
WO-1996029067-A1 ANTI-VIRAL AND ANTI-CANCER AGENTS RADOPATH LIMITED (GB) 1996-09-26 WO disclosed
US-4506089-A TREATMENT OF ISOMER MIXTURE WITH AN EMULSIFIER BASF AKTIENGESELLSCHAFT (DE) 1985-03-19 US disclosed