SCHEMBL7540414

SCHEMBL7540414

O=C(O)c1cc(Cl)c(Cl)nc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
AKR1C2 P52895 2/20 0.44
AKR1C1 Q04828 2/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.41
CASP1 P29466 1/20 0.41
CA1 P00915 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
SCHEMBL29406550 0.83 KEAP1 (0.64) KEAP1NFE2L2AKR1C2AKR1C1AKR1C4
SCHEMBL2566963 0.83 KEAP1 (0.64) KEAP1NFE2L2AKR1C2AKR1C1AKR1C4
SCHEMBL29795353 0.82 SLC9A1 (0.46) KEAP1NFE2L2AKR1C2AKR1C1AKR1C4
SCHEMBL22666874 0.82 SLC9A1 (0.46) KEAP1NFE2L2AKR1C2AKR1C1AKR1C4
SCHEMBL10873823 0.81 KEAP1 (0.62) KEAP1NFE2L2AKR1C2AKR1C1AKR1C4
Hydrochloric Acid SCHEMBL10552257 0.81 KEAP1 (0.62) KEAP1NFE2L2AKR1C2AKR1C1AKR1C4
SCHEMBL4698225 0.80 SORT1 (0.44) KEAP1NFE2L2AKR1C2AKR1C1AKR1C4
SCHEMBL473918 0.78 ALDH1A1 (0.47) KEAP1NFE2L2ALDH1A1KDM4EMEN1
SCHEMBL7886393 0.76 KEAP1 (0.43) KEAP1NFE2L2AKR1C2AKR1C1AKR1C4
SCHEMBL16879884 0.73 GABRP (0.49) KEAP1NFE2L2AKR1C2AKR1C1AKR1C4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5364940-A For treatment of sewage sludge with cultures LONZA LTD. (CH) 1994-11-15 US claimed
JP-6199797-A None JP disclosed
WO-2002029021-A2 BIOTECHNOLOGICAL METHOD FOR PREPARING CARBOXYLIC ACIDS WITH A HYDROXY-NITROGEN HETEROCYCLE LONZA AG (CH) 2002-04-11 WO disclosed
US-5364940-A For treatment of sewage sludge with cultures LONZA LTD. (CH) 1994-11-15 US disclosed
JP-H06199797-A MICROBIOLOGICAL PROCESS FOR HYDROXYLATING NITROGEN-HETEROCYCLIC-CARBOXYLIC ACID LONZA AG 1994-07-19 JP disclosed
US-5306630-A Microbiological process for hydroxylation of nitrogen-heterocyclic-carboxylic acids LONZA LTD. (CH) 1994-04-26 US disclosed
EP-0225172-A1 Process for the preparation of 5-chloro and 5-bromo-2-hydroxynicotinicacids A.H. ROBINS COMPANY, INCORPORATED (US) 1987-06-10 EP disclosed