SCHEMBL3712693

SCHEMBL3712693

O=C(O)c1ccc2c(c1)CC=NO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 2/20 0.46
SRD5A2 P31213 5/20 0.39
SRD5A1 P18405 3/20 0.39
RXRA P19793 1/20 0.37
KDM4E B2RXH2 5/20 0.37
MAPT P10636 4/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
ALOX5 P09917 1/20 0.36
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
CA6 P23280 1/20 0.36
PTGS2 P35354 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
Hydrochloric Acid SCHEMBL10700892 0.98 TDP1 (0.45) TDP1ALDH1A1MAPK1SRD5A2SRD5A1
SCHEMBL19207342 0.87 ALDH1A1 (0.46) TDP1ALDH1A1MAPK1SRD5A2SRD5A1
SCHEMBL10509462 0.85 NPC1 (0.46) TDP1KDM4EMAPTPOLBMEN1
SCHEMBL9995987 0.85 TSHR (0.47) ALDH1A1KDM4ETSHRRAB9A
SCHEMBL8469727 0.73 TDP1 (0.46) TDP1ALDH1A1MAPK1SRD5A2SRD5A1
SCHEMBL7502955 0.73 RAB9A (0.41) TDP1ALDH1A1MAPK1POLBMEN1
SCHEMBL5586035 0.72 TSHR (0.47) ALDH1A1MAPK1KDM4ETSHRRAB9A
Carbamic Acid SCHEMBL6649969 0.71 HSD17B10 (0.34) TDP1ALDH1A1MAPK1KDM4EMAPT
SCHEMBL5395777 0.71 TDP1 (0.47) TDP1ALDH1A1MAPK1SRD5A2SRD5A1
SCHEMBL3199131 0.70 ALDH1A1 (0.47) TDP1ALDH1A1MAPK1SRD5A2SRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120040824-A Thermal insulation fireproof material based on fiber reinforcement and preparation method thereof 杭州诗杭新材料科技有限公司 2025-05-27 CN claimed
CN-108440562-A A kind of synthetic method of Levofloxacin pharmaceutical intermediate 邳州易萨新型材料有限公司 2018-08-24 CN claimed
CN-108404990-A A kind of catalyst and its application for synthesizing Levofloxacin pharmaceutical intermediate 邳州易萨新型材料有限公司 2018-08-17 CN claimed
CN-108310983-A A kind of preparation of antibacterial pollution-resistant PVDF ultrafiltration membrane and regeneration method 山西大学 2018-07-24 CN claimed
CN-105622632-B A kind of carbostyril compound and preparation method thereof 浙江海森药业股份有限公司 2018-06-29 CN claimed
CN-105622632-A Quinolones compound and preparation method thereof ZHEJIANG HAISEN PHARMACY CO LTD 2016-06-01 CN claimed
CN-104031064-B A kind of Pazufloxacin impurity and preparation method thereof SHANGHAI INSTITUTE OF TECHNOLOGY (CN) 2016-04-27 CN claimed
CN-105175430-A Preparation method for pazufloxacin impurity compound SHANGHAI INST TECHNOLOGY 2015-12-23 CN claimed
CN-104031064-A Pazufloxacin impurity and preparation method thereof SHANGHAI INST TECHNOLOGY 2014-09-10 CN claimed
CN-104031063-A Quinolone compound as well as preparation method and application thereof SHANGHAI INST TECHNOLOGY 2014-09-10 CN claimed
CN-1042936-C Aryl group- or aromatic heterocyclic group-substituted aminoquinolone derivatives and anti-hiv agent UBE INDUSTRIES (JP) 1999-04-14 CN claimed
US-5880111-A CHEMOTHERAPWUTIC AGENTS; TREATING PERIODONTAL DISEASE AND URINARY TRACT INFECTIONS FARCASIU DAN (US) 1999-03-09 US claimed
CN-1158611-A Novel quinolone-or naphthyridonecarboxylic acid derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 1997-09-03 CN claimed
CN-1032675-C Concentrated water solution containing spiramycin depressor for intravenous injection after dilution CHANGZHENG PHARMACEUTICAL FACT (CN) 1996-09-04 CN claimed
CN-1086515-A Aminoquinolone derivative and anti-hiv agent that aryl or fragrant heterocyclic radical replace UBE INDUSTRIES (JP) 1994-05-11 CN claimed
CN-1079745-A New 9-fluoro-7-oxo-7H-pyrido [1,2,3-d, e] [1,4] benzoxazine-6-carboxylic acids and ester thereof BAYER AG (DE) 1993-12-22 CN claimed
CN-1079744-A 7-oxo-7H-pyrido [1,2,3 ,-d, e] [1,4] benzoxazine-6-carboxylic acids and ester thereof BAYER AG (DE) 1993-12-22 CN claimed
CN-1074604-A The rota-enzyme restrainer that contains rotatory enzyme inhibitor CHNGZHENG PHARMACEUTIC FACTORY (CN) 1993-07-28 CN claimed
CN-1030237-A BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1989-01-11 CN claimed
CN-88101741-A Quinolinone one and azanaphthalenes keto carboxylic acid derivatives that 5-replaces 1988-11-16 CN claimed