SCHEMBL6843431

SCHEMBL6843431

O=[N+]([O-])c1cc2ccccc2c(S(=O)(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.54
CYP3A4 P08684 1/20 0.53
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 2/20 0.47
CYP2D6 P10635 1/20 0.46
ALDH1A1 P00352 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
ATIC P31939 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HPRT1 P00492 1/20 0.43
CDK2 P24941 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
S100A4 P26447 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL29187224 0.98 CASP6 (0.53) CASP6CYP3A4TDP1TSHRCYP2D6
SCHEMBL29054358 0.88 CYP3A4 (0.46) CASP6CYP3A4TDP1TSHRALDH1A1
SCHEMBL6846077 0.88 CASP6 (0.57) CASP6CYP3A4TDP1TSHRCYP2D6
SCHEMBL30894504 0.85 CYP3A4 (0.53) CASP6CYP3A4TDP1TSHRALDH1A1
SCHEMBL29060828 0.85 CYP3A4 (0.53) CASP6CYP3A4TDP1TSHRALDH1A1
Zinc Ion SCHEMBL29060853 0.85 CYP3A4 (0.53) CASP6CYP3A4TDP1TSHRALDH1A1
SCHEMBL8028456 0.82 CASP6 (0.67) CASP6CYP3A4TDP1TSHRCYP2D6
SCHEMBL31132059 0.80 ALDH1A1 (0.53) CASP6CYP3A4TDP1TSHRCYP2D6
SCHEMBL669107 0.80 ALDH1A1 (0.53) CASP6CYP3A4TDP1TSHRCYP2D6
SCHEMBL188171 0.79 CYP3A4 (0.71) CASP6CYP3A4TDP1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116349679-A Composite disinfection and sterilization method 孙国明 2023-06-30 CN claimed
US-6767481-B2 AT LEAST ONE REDUCIBLE AND AT LEAST ONE OXIDIZABLE SUBSTANCE OX2 AND RED1, RESPECTIVELY, WHICH ARE LINKED TO ONE ANOTHER VIA A BRIDGE BAYER AKTIENGESELLSCHAFT (DE) 2004-07-27 US claimed
US-20020197486-A1 Electrochromic system with coupled RED-OX system and special anions BERNETH HORST (DE) 2002-12-26 US claimed
US-6417951-B1 ELECTROLYTIC CELLS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-09 US claimed
EP-1015524-A1 ELECTROCHROMIC SYSTEM WITH COUPLED RED-OX SYSTEM AND SPECIAL ANIONS BAYER AG (DE) 2000-07-05 EP claimed
WO-1999009111-A1 ELECTROCHROMIC SYSTEM WITH COUPLED RED-OX SYSTEM AND SPECIAL ANIONS BAYER AKTIENGESELLSCHAFT (DE) 1999-02-25 WO claimed
EP-0346827-A1 Process and composition for producing protective and colour-receptive coatings on aluminium Lea Manufacturing Company (US) 1989-12-20 EP claimed
CN-116349679-A Composite disinfection and sterilization method 孙国明 2023-06-30 CN disclosed
US-6767481-B2 AT LEAST ONE REDUCIBLE AND AT LEAST ONE OXIDIZABLE SUBSTANCE OX2 AND RED1, RESPECTIVELY, WHICH ARE LINKED TO ONE ANOTHER VIA A BRIDGE BAYER AKTIENGESELLSCHAFT (DE) 2004-07-27 US disclosed
US-20020197486-A1 Electrochromic system with coupled RED-OX system and special anions BERNETH HORST (DE) 2002-12-26 US disclosed
US-6417951-B1 ELECTROLYTIC CELLS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-09 US disclosed
EP-1015524-A1 ELECTROCHROMIC SYSTEM WITH COUPLED RED-OX SYSTEM AND SPECIAL ANIONS BAYER AG (DE) 2000-07-05 EP disclosed
WO-1999009111-A1 ELECTROCHROMIC SYSTEM WITH COUPLED RED-OX SYSTEM AND SPECIAL ANIONS BAYER AKTIENGESELLSCHAFT (DE) 1999-02-25 WO disclosed
EP-0346827-A1 Process and composition for producing protective and colour-receptive coatings on aluminium Lea Manufacturing Company (US) 1989-12-20 EP disclosed
US-4224248-A Process for the depyrophorization of pyrophoric metal catalysts and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 1980-09-23 US disclosed
US-4176092-A TREATMENT WITH AN ORGANIC NITRO OR A NITROSO COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1979-11-27 US disclosed