SCHEMBL823705

SCHEMBL823705

CC(=O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.56
TTR P02766 3/20 0.53
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GPR35 Q9HC97 2/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 4/20 0.51
HSPB1 P04792 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL30318004 1.00 RECQL (0.56) RECQLTTRALDH1A1SMN1; SMN2GPR35
SCHEMBL10747235 0.87 RECQL (0.52) RECQLTTRALDH1A1SMN1; SMN2GPR35
SCHEMBL29379815 0.86 ALDH1A1 (0.55) TTRALDH1A1SMN1; SMN2GPR35TP53
SCHEMBL11341567 0.86 RECQL (0.58) RECQLALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL1220299 0.86 ALDH1A1 (0.55) TTRALDH1A1SMN1; SMN2GPR35TP53
SCHEMBL427368 0.86 ALDH1A1 (0.55) TTRALDH1A1SMN1; SMN2GPR35TP53
SCHEMBL29821424 0.86 ALDH1A1 (0.55) TTRALDH1A1SMN1; SMN2GPR35TP53
SCHEMBL17307529 0.86 RECQL (0.46) RECQLTTRALDH1A1SMN1; SMN2GPR35
SCHEMBL4907649 0.86 TTR (0.50) RECQLTTRALDH1A1SMN1; SMN2GPR35
SCHEMBL8977448 0.85 HTT (0.58) RECQLSMN1; SMN2MAPK1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110583496-A Cat urine pH indicating material, pH indicating cat litter and preparation method thereof 孙雨强 2019-12-20 CN claimed
US-8354555-B2 Monolayer-coated surfaces as catalytic platforms for organic reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-01-15 US claimed
US-20100224508-A1 Ink composition for sensing carbon dioxide gas, carbon dioxide indicator using the same, package provided with the carbon dioxide indicator, and method for sensing pinhole using the same TOPPAN PRINTING CO., LTD. (JP) 2010-09-09 US claimed
US-20100036156-A1 MONOLAYER-COATED SURFACES AS CATALYTIC PLATFORMS FOR ORGANIC REACTIONS NATIONAL SCIENCE FOUNDATION 2010-02-11 US claimed
WO-2009143406-A2 MONOLAYER-COATED SURFACES AS CATALYTIC PLATFORMS FOR ORGANIC REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-11-26 WO claimed
CN-100340857-C Ink composition for detecting carbon dioxide gas, carbon dioxide indicator using the same, and package provided with the indicator TOPPAN PRINTING CO LTD (JP) 2007-10-03 CN claimed
US-4734307-A GUANIDINE OR AMINOGUANIDINE DERIVATIVES PHILLIPS PETROLEUM COMPANY (US) 1988-03-29 US claimed
CN-110769821-B Spiro indolines as IL-17 modulators UCB生物制药有限责任公司 2023-07-07 CN disclosed
CN-110184265-B Preparation method and application of nano enzyme based on gold nanoparticles 上海大学 2023-04-18 CN disclosed
WO-2023008507-A1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM, AND SILICON-CONTAINING RESIST UNDERLAYER FILM 日産化学株式会社 2023-02-02 WO disclosed
US-20210255193-A1 LYSINE REACTIVE PROBES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2021-08-19 US disclosed
EP-3128838-B1 PLANT STIMULATORS, USE THEREOF AND METHOD OF PLANT STIMULATION AGRA GROUP AS (CZ) 2020-04-29 EP disclosed
EP-3642630-A1 LYSINE REACTIVE PROBES AND USES THEREOF The Scripps Research Institute (US) 2020-04-29 EP disclosed
US-4734307-A GUANIDINE OR AMINOGUANIDINE DERIVATIVES PHILLIPS PETROLEUM COMPANY (US) 1988-03-29 US disclosed
US-4477593-A Sheet printed with invisible inks, developers and erasure compounds _for invisible inks LOCKLEY SERVICES PTY. LTD. (AU) 1984-10-16 US disclosed
US-4322466-A Sheet printed with invisible inks LOCKLEY SERVICES PTY. LTD. (AU) 1982-03-30 US disclosed
US-4139965-A Device using coated paper and chemical reactive marker MATTEL, INC. (US) 1979-02-20 US disclosed
US-4086209-A Novel nitrogen-containing aromatic polymers and process for their preparation TEIJIN LIMITED (JA) 1978-04-25 US disclosed
US-4085090-A Aromatic polymers containing a nitrogen-containing ring group, and process for preparation thereof TEIJIN LIMITED (JA) 1978-04-18 US disclosed
US-3942467-A Time temperature indicator BIO-MEDICAL SCIENCES, INC. (US) 1976-03-09 US disclosed