SCHEMBL6950981

SCHEMBL6950981

CSc1ccc(Nc2c(C(=O)O)cc(Br)c(F)c2F)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 6/20 0.47
MCL1 Q07820 1/20 0.39
CLCN2 P51788 2/20 0.37
MAP2K2 P36507 4/20 0.37
FTO Q9C0B1 3/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
HSD17B10 Q99714 3/20 0.35
MAPK1 P28482 1/20 0.35
KCNK2 O95069 1/20 0.35
KCNK10 P57789 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
SCHEMBL6946807 0.87 KMT2A (0.46) MAP2K1MCL1CLCN2MAP2K2KMT2A
SCHEMBL4856761 0.82 MAP2K1 (0.70) MAP2K1MAP2K2CSNK2A2
SCHEMBL6951081 0.81 LMNA (0.48) MAP2K1ALDH1A1MAPT
SCHEMBL3429050 0.80 MAP2K1 (0.47) MAP2K1CLCN2FTOKMT2AMEN1
SCHEMBL6945680 0.80 MAP2K1 (0.57) MAP2K1MAP2K2KMT2AMEN1SMN1; SMN2
SCHEMBL6944105 0.79 MAP2K1 (0.47) MAP2K1CLCN2MAP2K2FTOKMT2A
SCHEMBL6944335 0.77 MAP2K1 (0.41) MAP2K1MAP2K2KMT2AMEN1SMN1; SMN2
SCHEMBL6950406 0.75 KMT2A (0.48) MAP2K1MCL1CLCN2MAP2K2FTO
SCHEMBL3426199 0.74 CSF1R (0.44) MAP2K1MAP2K2KMT2AMEN1SMN1; SMN2
SCHEMBL13841944 0.73 MEN1 (0.60) MAP2K1FTOKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202724-B1 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER LAMBERT CO (US) 2003-10-01 EP claimed
JP-2003504401-A 2003-02-04 JP claimed
EP-1202724-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-05-08 EP claimed
EP-1150950-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2001-11-07 EP claimed
WO-2001005393-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO claimed
WO-2000041505-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2000-07-20 WO claimed
EP-1202724-B1 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER LAMBERT CO (US) 2003-10-01 EP disclosed
EP-1202724-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-05-08 EP disclosed
EP-1150950-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2001-11-07 EP disclosed
WO-2001005393-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2000041505-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed