SCHEMBL6152768

SCHEMBL6152768

Cc1cc([N+](=O)[O-])cc(C=O)c1O

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.64
ALDH1A1 P00352 3/20 0.61
GPR35 Q9HC97 1/20 0.61
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.48
HTT P42858 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
GALR3 O60755 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 2/20 0.44

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
SCHEMBL12492120 0.87 ERN1 (0.69) ERN1ALDH1A1GPR35LMNAMEN1
SCHEMBL655655 0.82 GPR35 (0.77) ERN1ALDH1A1GPR35LMNAMEN1
SCHEMBL26089595 0.81 ERN1 (0.50) ERN1ALDH1A1GPR35LMNAMEN1
SCHEMBL4756022 0.81 ERN1 (0.63) ERN1ALDH1A1GPR35LMNAMEN1
SCHEMBL14877163 0.81 ERN1 (0.50) ERN1ALDH1A1GPR35LMNAMEN1
SCHEMBL831073 0.80 ERN1 (0.67) ERN1ALDH1A1GPR35MEN1KMT2A
SCHEMBL29441809 0.80 ERN1 (0.67) ERN1ALDH1A1GPR35MEN1KMT2A
SCHEMBL29607767 0.79 ERN1 (0.60) ERN1ALDH1A1GPR35LMNAMEN1
SCHEMBL6981731 0.79 ERN1 (0.60) ERN1ALDH1A1GPR35LMNAMEN1
SCHEMBL2771759 0.79 ERN1 (0.59) ERN1ALDH1A1GPR35LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114173750-A Improving the stability of agents for treating keratin materials 汉高股份有限及两合公司 2022-03-11 CN claimed
CN-112876482-B Polysubstituted heterocyclic derivative, preparation method and medical application thereof 中国药科大学 2023-07-28 CN disclosed
CN-112876482-A Polysubstituted heterocyclic derivative, preparation method and medical application thereof 中国药科大学 2021-06-01 CN disclosed
CN-107954876-A The preparation method of 3- methyl -4- hydroxyl -5- nitrobenzaldehydes 南通大学 2018-04-24 CN disclosed
CN-107434786-A Benzimidazole compound and preparation method thereof 广东东阳光药业有限公司 2017-12-05 CN disclosed
US-9622988-B2 Small molecule xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2017-04-18 US disclosed
US-9610257-B2 Small molecule xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2017-04-04 US disclosed
US-9585847-B2 Small molecule xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2017-03-07 US disclosed
US-9585848-B2 Small molecule xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2017-03-07 US disclosed
US-9580379-B2 Xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2017-02-28 US disclosed
US-6486279-B2 RUTHENIUM ALKYLIDENES STABLE IN THE PRESENCE OF POLAR OR PROTIC FUNCTIONAL GOURPS OR SOLVENTS CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-11-26 US disclosed
US-20020055598-A1 Acid activation of ruthenium metathesis catalysts and living ROMP metathesis polymerization in water CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-05-09 US disclosed
EP-1042333-A4 SCHIFF BASE DERIVATIVES OF RUTHENIUM AND OSMIUM OLEFIN METATHESIS CATALYSTS CALIFORNIA INST OF TECHN (US) 2002-05-02 EP disclosed
WO-2001098282-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2001-12-27 WO disclosed
US-6284852-B1 RUTHENIUM CARBENE COMPLEXES CALIFORNIA INSTITUTE OF TECHNOLOGY 2001-09-04 US disclosed
EP-1056538-A1 ACID ACTIVATION OF RUTHENIUM METATHESIS CATALYSTS AND LIVING ROMP METATHESIS POLYMERIZATION IN WATER CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-12-06 EP disclosed
EP-1042333-A1 SCHIFF BASE DERIVATIVES OF RUTHENIUM AND OSMIUM OLEFIN METATHESIS CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-10-11 EP disclosed
US-5977393-A Schiff base derivatives of ruthenium and osmium olefin metathesis catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1999-11-02 US disclosed
WO-1999026949-A1 SCHIFF BASE DERIVATIVES OF RUTHENIUM AND OSMIUM OLEFIN METATHESIS CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1999-06-03 WO disclosed
WO-1999022865-A1 ACID ACTIVATION OF RUTHENIUM METATHESIS CATALYSTS AND LIVING ROMP METATHESIS POLYMERIZATION IN WATER CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1999-05-14 WO disclosed