SCHEMBL1966463

SCHEMBL1966463

O=C(Cl)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.69
ALDH1A1 P00352 2/20 0.57
TSHR P16473 4/20 0.55
VCAM1 P19320 2/20 0.55
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.48
PARP1 P09874 1/20 0.47
GPR35 Q9HC97 1/20 0.47
HCAR3 P49019 3/20 0.45
PDK1 Q15118 2/20 0.45

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
SCHEMBL29492133 1.00 CASP6 (0.69) CASP6ALDH1A1TSHRVCAM1LMNA
SCHEMBL9339498 0.85 GPR35 (0.56) CASP6ALDH1A1TSHRVCAM1LMNA
SCHEMBL3544563 0.85 TSHR (0.58) CASP6ALDH1A1TSHRVCAM1LMNA
SCHEMBL9244559 0.85 ALDH1A1 (0.53) CASP6ALDH1A1TSHRVCAM1LMNA
SCHEMBL31590506 0.85 TSHR (0.58) CASP6ALDH1A1TSHRVCAM1LMNA
SCHEMBL667615 0.85 ALDH1A1 (0.53) CASP6ALDH1A1TSHRVCAM1LMNA
SCHEMBL4899122 0.85 ALDH1A1 (0.56) CASP6ALDH1A1TSHRVCAM1LMNA
SCHEMBL922714 0.85 VCAM1 (0.77) ALDH1A1VCAM1LMNA
SCHEMBL27985417 0.83 CASP6 (0.74) CASP6ALDH1A1TSHRVCAM1LMNA
SCHEMBL3892799 0.83 ALDH1A1 (0.52) CASP6ALDH1A1TSHRVCAM1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112079823-B Near-infrared frequency up-conversion fluorescence molecular probe, preparation method and application 中国药科大学 2022-03-29 CN claimed
CN-112079823-A Near-infrared frequency up-conversion fluorescence molecular probe, preparation method and application 中国药科大学 2020-12-15 CN claimed
CN-105776752-B A kind of swinging removes carbon tetrachloride device and its method of work in underground water 徐州工程学院 2018-03-27 CN claimed
CN-104194773-B A kind of cell membrane targeting nitric oxide fluorescent probe and its preparation method and application 武汉大学 2016-08-17 CN claimed
CN-105776752-A Rotary device for removing carbon tetrachloride in underground water and operating method of device 徐州工程学院 2016-07-20 CN claimed
CN-103320122-B A kind of large Stokes displacement fluorescent probe for NO detection and synthetic method thereof WUHAN UNIVERSITY (CN) 2016-02-10 CN claimed
CN-104194773-A Cell-membrane target nitric oxide fluorescent probe as well as preparation method and application thereof UNIV WUHAN 2014-12-10 CN claimed
CN-103320122-A Large Stokes displacement fluorescent probe used for detecting NO and synthesis method thereof UNIV WUHAN 2013-09-25 CN claimed
US-5276132-A Polyamic acid or polyimide having a steroidal skeleton providing a pretilt angle of 3 to 90 degrees; SBE(super twisted birefringence effect) and SH(super homeotropic) devices JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1994-01-04 US claimed
EP-0440329-A1 S-substituted carbonyl substituted betathioacrylamide biocides and fungicides ROHM AND HAAS COMPANY (US) 1991-08-07 EP claimed
WO-2025031305-A1 DIALLENE LINKER, LINKER-DRUG CONJUGATE, ANTIBODY-DRUG CONJUGATE, AND USE THEREOF 泰诚思(上海)生物医药有限公司 2025-02-13 WO disclosed
CN-111433290-B Azo compound or salt thereof, and polarizing element, polarizing plate and display device each comprising the same 日本化药株式会社 2022-06-14 CN disclosed
CN-112079823-B Near-infrared frequency up-conversion fluorescence molecular probe, preparation method and application 中国药科大学 2022-03-29 CN disclosed
CN-112079823-A Near-infrared frequency up-conversion fluorescence molecular probe, preparation method and application 中国药科大学 2020-12-15 CN disclosed
CN-105776752-B A kind of swinging removes carbon tetrachloride device and its method of work in underground water 徐州工程学院 2018-03-27 CN disclosed
US-4087409-A USED TO SPIN FIBERS MONSANTO COMPANY (US) 1978-05-02 US disclosed
US-4086235-A PESTICIDES, ANTHELMINTICS, ANTIFUNGAL AGENTS SYNTEX (U.S.A.) INC. (US) 1978-04-25 US disclosed
US-4018790-A VIRICIDES ELI LILLY AND COMPANY (US) 1977-04-19 US disclosed
US-4008243-A Antiviral thiazolinyl or thiazinyl benzimidazole esters ELI LILLY AND COMPANY (US) 1977-02-15 US disclosed
US-3971741-A DISPERSION PIGMENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed