SCHEMBL6655099

SCHEMBL6655099

O=C1c2ccc(Br)c(Br)c2C(=O)N1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.38
FEN1 P39748 2/20 0.38
ERCC4 Q92889 2/20 0.38
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PABPC1 P11940 1/20 0.33
XBP1 P17861 1/20 0.33
NFKB1 P19838 1/20 0.33
HTT P42858 1/20 0.33
SMARCA2 P51531 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL3683888 0.78 S100A4 (0.31) TDP1HPGDS100A4CYP1B1
SCHEMBL6656873 0.76 FEN1 (0.52) ERCC1FEN1ERCC4POLBMAPT
SCHEMBL9769322 0.74 RAB9A (0.42) POLBMAPTKMT2AKDM4EALDH1A1
Ethylene SCHEMBL19283170 0.74 ALDH1A1 (0.30) POLBALDH1A1
SCHEMBL8087968 0.71 ALDH1A1 (0.33) TDP1ALDH1A1NPC1RAB9AHPGD
SCHEMBL7703829 0.68 POLB (0.65) ERCC1FEN1ERCC4POLBMAPT
SCHEMBL3280286 0.68 TDP2 (0.52) ERCC1FEN1ERCC4POLBMAPT
SCHEMBL9853619 0.68 ERCC1 (0.38) ERCC1FEN1ERCC4POLBMAPT
SCHEMBL6650190 0.68 POLB (0.51) ERCC1FEN1ERCC4POLBMAPT
SCHEMBL1025411 0.68 ERCC1 (0.62) ERCC1FEN1ERCC4POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235782-B1 METHOD FOR OXIDATION OF XYLENE DERIVATIVES GEN ELECTRIC (US) 2004-02-18 EP claimed
US-6465685-B1 SUCH AS CHLORO-O-XYLENE, ARE OXIDIZED IN A SOLVENT IN THE PRESENCE OF A METAL COMPOUND CATALYST WITH ADDITION OF PROMOTER AFTER THE REACTION HAS PROCEEDED TO AN INTERMEDIATE STAGE; PRODUCT COMPRISES CHLOROPHTHALIC ACID OR ANHYDRIDE GENERAL ELECTRIC COMPANY 2002-10-15 US claimed
US-6399790-B1 USING METAL CATALYST GENERAL ELECTRIC COMPANY 2002-06-04 US claimed
EP-1235782-B1 METHOD FOR OXIDATION OF XYLENE DERIVATIVES GEN ELECTRIC (US) 2004-02-18 EP disclosed
EP-1375468-A2 Method for removing impurities from oxidation products GENERAL ELECTRIC COMPANY (US) 2004-01-02 EP disclosed
US-6670487-B1 Of ortho-dimethylbenzene compounds; phthalic acid and phthalic anhydride by oxidation of ortho-xylene; extracting solution of aromatic anhydride product with an aqueous bicarbonate to hydrolyze the anhydride to the acid GENERAL ELECTRIC COMPANY 2003-12-30 US disclosed
US-6465685-B1 SUCH AS CHLORO-O-XYLENE, ARE OXIDIZED IN A SOLVENT IN THE PRESENCE OF A METAL COMPOUND CATALYST WITH ADDITION OF PROMOTER AFTER THE REACTION HAS PROCEEDED TO AN INTERMEDIATE STAGE; PRODUCT COMPRISES CHLOROPHTHALIC ACID OR ANHYDRIDE GENERAL ELECTRIC COMPANY 2002-10-15 US disclosed
EP-1235781-A1 METHOD FOR OXIDATION OF XYLENE DERIVATIVES GENERAL ELECTRIC COMPANY (US) 2002-09-04 EP disclosed
EP-1235782-A1 METHOD FOR OXIDATION OF XYLENE DERIVATIVES GENERAL ELECTRIC COMPANY (US) 2002-09-04 EP disclosed
US-6399790-B1 USING METAL CATALYST GENERAL ELECTRIC COMPANY 2002-06-04 US disclosed
WO-2001038282-A1 METHOD FOR OXIDATION OF XYLENE DERIVATIVES GENERAL ELECTRIC COMPANY (US) 2001-05-31 WO disclosed
WO-2001038281-A1 METHOD FOR OXIDATION OF XYLENE DERIVATIVES GENERAL ELECTRIC COMPANY (US) 2001-05-31 WO disclosed