SCHEMBL6846077

SCHEMBL6846077

O=[N+]([O-])c1cc2ccccc2c(S(=O)(=O)O)c1S(=O)(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.57
TDP1 Q9NUW8 3/20 0.50
TSHR P16473 1/20 0.50
CYP2D6 P10635 1/20 0.48
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
ATIC P31939 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HPRT1 P00492 1/20 0.45
CDK2 P24941 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
CTSB P07858 1/20 0.41
HPGD P15428 1/20 0.41
NSD2 O96028 1/20 0.41

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
Octane SCHEMBL10980347 0.89 CASP6 (0.47) CASP6TDP1TSHRCYP2D6ALDH1A1
SCHEMBL29054356 0.88 CASP6 (0.46) CASP6TDP1TSHRCYP2D6ALDH1A1
SCHEMBL6843431 0.88 CASP6 (0.54) CASP6TDP1TSHRCYP2D6ALDH1A1
SCHEMBL8028456 0.88 CASP6 (0.67) CASP6TDP1TSHRCYP2D6ALDH1A1
SCHEMBL29187224 0.86 CASP6 (0.53) CASP6TDP1TSHRCYP2D6ALDH1A1
SCHEMBL669107 0.82 ALDH1A1 (0.53) CASP6TDP1TSHRCYP2D6ALDH1A1
SCHEMBL31132059 0.82 ALDH1A1 (0.53) CASP6TDP1TSHRCYP2D6ALDH1A1
Hydrochloric Acid SCHEMBL11756177 0.81 ALDH1A1 (0.51) CASP6TDP1TSHRCYP2D6ALDH1A1
Water SCHEMBL11786583 0.81 ALDH1A1 (0.51) CASP6TDP1TSHRCYP2D6ALDH1A1
Hydrochloric Acid SCHEMBL11756182 0.81 ALDH1A1 (0.51) CASP6TDP1TSHRCYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1184198-C Method for preparing amino-aryl sulfonic acid RATEGESERBERG CHEMICAL GMBH (DE) 2005-01-12 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
CN-1260346-A Method for preparing amino-aryl sulfonic acid BAYER AG (DE) 2000-07-19 CN 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
CN-103113269-B 1,8-dinitro-3,6-naphthalene disulfonate hydrogenation reduction method SHAOXING QICAI CHEMICAL CO LTD 2015-07-22 CN disclosed
CN-103113269-B 1,8-dinitro-3,6-naphthalene disulfonate hydrogenation reduction method SHAOXING QICAI CHEMICAL CO LTD 2015-07-22 CN disclosed
CN-103113269-A 1,8-dinitro-3,6-naphthalene disulfonate hydrogenation reduction method SHAOXING QICAI CHEMICAL CO LTD 2013-05-22 CN disclosed
CN-103113269-A 1,8-dinitro-3,6-naphthalene disulfonate hydrogenation reduction method SHAOXING QICAI CHEMICAL CO LTD 2013-05-22 CN disclosed
CN-1184198-C Method for preparing amino-aryl sulfonic acid RATEGESERBERG CHEMICAL GMBH (DE) 2005-01-12 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
EP-0291588-B1 SIZING AGENT KABUSHIKI KAISHA CHIYODA KAGAKU KENKYUSHO (JP) 1991-09-04 EP disclosed
EP-0224976-B1 METHOD OF SIZING PAPER KABUSHIKI KAISHA CHIYODA KAGAKU KENKYUSHO (JP) 1989-10-18 EP disclosed
US-4826570-A PARTIAL ESTER OF ALKENYL SUCCINIC ACID, PAPERMAKING KABUSHIKI KAISHA CHIYODA KAGAKU KENKYUSHO (JP) 1989-05-02 US disclosed
EP-0291588-A1 Sizing agent KABUSHIKI KAISHA CHIYODA KAGAKU KENKYUSHO (JP) 1988-11-23 EP disclosed
EP-0224976-A1 Method of sizing paper KABUSHIKI KAISHA CHIYODA KAGAKU KENKYUSHO (JP) 1987-06-10 EP disclosed
US-4534905-A Process for the preparation of nitronaphthalene-sulphonic acids BAYER AKTIENGESELLSCHAFT (DE) 1985-08-13 US disclosed
US-4163752-A Process for the preparation of aminonaphthalenesulphonic acids BAYER AKTIENGESELLSCHAFT (DE) 1979-08-07 US disclosed