SCHEMBL6251453

SCHEMBL6251453

NC(=O)Nc1cc(C(=O)O)nc2cc(Cl)cc(Cl)c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.39
NQO2 P16083 4/20 0.37
PTGES O14684 1/20 0.36
PPM1G O15355 1/20 0.36
ALOX5 P09917 1/20 0.36
PTPN1 P18031 1/20 0.36
KDM5A P29375 1/20 0.36
PPM1A P35813 1/20 0.36
PTPN9 P43378 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
GRIK1 P39086 1/20 0.35
ACLY P53396 1/20 0.35
ALOX15 P16050 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL8946276 0.83 ACHE (0.40) NQO2PTGESPPM1GALOX5PTPN1
SCHEMBL1617314 0.82 MAPK14 (0.40) PTGESPPM1GALOX5PTPN1KDM5A
SCHEMBL29617385 0.82 MAPK14 (0.40) PTGESPPM1GALOX5PTPN1KDM5A
SCHEMBL8436758 0.82 KMT2A (0.42) MEN1ALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL19152266 0.81 GABRA2 (0.42) NQO2MEN1NPC1ALDH1A1CYP1A2
SCHEMBL13947511 0.80 GRIK1 (0.37) PTGESPPM1GALOX5PTPN1KDM5A
SCHEMBL17372704 0.80 MAPT (0.37) PTGESPPM1GALOX5PTPN1KDM5A
SCHEMBL1613356 0.80 PTGES (0.38) PTGESPPM1GALOX5PTPN1KDM5A
SCHEMBL9391555 0.78 NQO2 (0.40) GRM2NQO2PTGESPPM1GALOX5
SCHEMBL17372709 0.77 MAPT (0.45) NPC1ALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962930-B1 Compounds, compositions and method suitable for amelioration of withdrawal syndromes and withdrawal-induced brain damage LOHOCLA RESEARCH CORPORATION (US) 2005-11-08 US disclosed
EP-1011676-B1 QUINOLINE-UREA DERIVATIVES FOR THE TREATMENT OF WITHDRAWAL SYNDROME AND WITHDRAWAL-INDUCED BRAIN DAMAGE LOHOCLA RES CORP (US) 2005-08-31 EP disclosed
EP-1011676-A4 COMPOUNDS, COMPOSITIONS AND METHOD SUITABLE FOR AMELIORATION OF WITHDRAWAL SYNDROMES AND WITHDRAWAL-INDUCED BRAIN DAMAGE LOHOCLA RES CORP (US) 2004-08-11 EP disclosed
EP-1011676-A1 COMPOUNDS, COMPOSITIONS AND METHOD SUITABLE FOR AMELIORATION OF WITHDRAWAL SYNDROMES AND WITHDRAWAL-INDUCED BRAIN DAMAGE Lohocla Research Corporation (US) 2000-06-28 EP disclosed
WO-1998055125-A1 COMPOUNDS, COMPOSITIONS AND METHOD SUITABLE FOR AMELIORATION OF WITHDRAWAL SYNDROMES AND WITHDRAWAL-INDUCED BRAIN DAMAGE LOHOCLA RESEARCH CORPORATION (US) 1998-12-10 WO disclosed