SCHEMBL7809127

SCHEMBL7809127

O=C(O)c1ccc(NCc2ccccc2O)cc1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 3/20 0.78
EGFR P00533 3/20 0.60
HIF1A Q16665 2/20 0.60
MAPT P10636 5/20 0.57
RGS12 O14924 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LCK P06239 1/20 0.57
CAMKK2 Q96RR4 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ALOX15 P16050 1/20 0.56
HPGD P15428 1/20 0.54
PKM P14618 1/20 0.54
KMT2A Q03164 1/20 0.54
CA12 O43570 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
CA1 P00915 1/20 0.52
GAA P10253 1/20 0.52
RAB9A P51151 1/20 0.52
KDM4C Q9H3R0 1/20 0.51

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
SCHEMBL7803944 0.88 NOX4 (1.00) NOX4EGFRHIF1AMAPTRGS12
SCHEMBL7079654 0.84 KDM4C (0.58) NOX4ALDH1A1HPGDPKMKMT2A
SCHEMBL7809216 0.84 EGFR (0.81) NOX4EGFRMAPTRGS12ALDH1A1
SCHEMBL14088983 0.82 KMT2A (0.58) NOX4HIF1AALDH1A1TDP1ALOX15
SCHEMBL27749184 0.81 EGFR (0.60) NOX4EGFRMAPTRGS12ALDH1A1
SCHEMBL27770270 0.81 EGFR (0.60) NOX4EGFRMAPTRGS12ALDH1A1
SCHEMBL27770271 0.81 EGFR (0.60) NOX4EGFRMAPTRGS12ALDH1A1
SCHEMBL3332042 0.80 MAOB (0.71) NOX4MAOB
SCHEMBL5273870 0.80 HIF1A (0.69) NOX4EGFRHIF1AMAPTALOX15
SCHEMBL7812839 0.79 NOX4 (0.65) NOX4EGFRHIF1AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1114598-C Aromatic compounds and pharmaceutical compositions containing them ZENECA LTD (GB) 2003-07-16 CN claimed
EP-0847391-B1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2001-12-19 EP claimed
CN-1193966-A Aromatic compounds and pharmaceutical compositions containing them ZENECA LTD (GB) 1998-09-23 CN claimed
EP-0847391-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1998-06-17 EP claimed
WO-1997000864-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1997-01-09 WO claimed
CN-1114598-C Aromatic compounds and pharmaceutical compositions containing them ZENECA LTD (GB) 2003-07-16 CN disclosed
EP-0847391-B1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2001-12-19 EP disclosed
US-6313148-B1 FOR THERAPY OF PAIN PAIN ASSOCIATED WITH JOINT CONDITIONS SUCH AS RHEUMATOID ARTHRITIS AND OSTEOARTHRITIS, POSTOPERATIVE PAIN, POST-PARTUM PAIN, THE PAIN ASSOCIATED WITH DENTAL CONDITIONS SUCH AS DENTAL CARIES AND GINGIVITIS ZENECA LIMITED (GB) 2001-11-06 US disclosed
US-6100258-A 6-(N-(5-BROMO-2-(2-METHYLPROP-2-EN-1-YLOXY)BENZYL)-N -ETHYLAMINO)-PYRIDAZIN-3-YLCARBOXYLIC ACID, AND OTHER 3,6-DISUBSTITUTED PYRIDAZINE DERIVATIVES OF SPECIFIED FORMULA; RELIEVING PAIN ZENECA LIMITED (GB) 2000-08-08 US disclosed
CN-1193966-A Aromatic compounds and pharmaceutical compositions containing them ZENECA LTD (GB) 1998-09-23 CN disclosed
CN-1193966-A Aromatic compounds and pharmaceutical compositions containing them ZENECA LTD (GB) 1998-09-23 CN disclosed
EP-0847391-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1998-06-17 EP disclosed
WO-1997000864-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1997-01-09 WO disclosed