SCHEMBL6944332

SCHEMBL6944332

Cc1cc(S(C)(=O)=O)ccc1Nc1cc([N+](=O)[O-])ccc1C(=O)NOCC1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 7/20 0.54
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP19A1 P11511 1/20 0.41
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 4/20 0.39
RAF1 P04049 1/20 0.38
PDGFRB P09619 1/20 0.38
CSNK2A2 P19784 1/20 0.38
MAP2K2 P36507 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
AURKC Q9UQB9 1/20 0.38
CAMK2A Q9UQM7 1/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL5387988 0.87 MAP2K1 (0.70) MAP2K1MEN1KMT2ATDP1POLB
SCHEMBL6949027 0.85 MAP2K1 (0.54) MAP2K1MEN1KMT2ATDP1POLB
SCHEMBL6943863 0.85 MAP2K1 (0.60) MAP2K1MEN1KMT2ATDP1POLB
SCHEMBL6945725 0.85 MAP2K1 (0.53) MAP2K1MEN1KMT2ATDP1POLB
SCHEMBL6943869 0.81 NPC1 (0.42) KMT2ATDP1POLBNPC1RAB9A
SCHEMBL6946092 0.79 MAPT (0.50) MEN1KMT2ATDP1POLBNPC1
SCHEMBL6944968 0.79 MAP2K1 (0.61) MAP2K1MEN1KMT2ATDP1RAF1
SCHEMBL5385266 0.78 MAP2K1 (0.70) MAP2K1MEN1KMT2ATDP1RAF1
SCHEMBL5382310 0.78 MAP2K1 (0.55) MAP2K1MEN1KMT2ATDP1RAF1
SCHEMBL6947451 0.77 MEN1 (0.75) MAP2K1MEN1KMT2ATDP1RAF1

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 6 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