SCHEMBL6947283

SCHEMBL6947283

Cc1cc([S+](C)[O-])ccc1Nc1c(C(=O)O)ccc(F)c1F

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.54
MAP2K2 P36507 14/20 0.54
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CLCN2 P51788 1/20 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
SCHEMBL6945853 0.88 MAP2K1 (0.41) MAP2K1MAP2K2
SCHEMBL6944102 0.88 MEN1 (0.46) MAP2K1MAP2K2MEN1KMT2AMAPK1
SCHEMBL6949042 0.87 MAP2K1 (0.65) MAP2K1MAP2K2CLCN2
SCHEMBL27585113 0.86 MEN1 (0.41) MAP2K1MAP2K2MEN1KMT2AMAPK1
SCHEMBL6944123 0.84 MEN1 (0.44) MAP2K1MAP2K2MEN1KMT2AMAPK1
SCHEMBL6946239 0.81 CLCN2 (0.50) MAP2K1MEN1KMT2AMAPK1CLCN2
SCHEMBL4851710 0.80 MAP2K1 (0.78) MAP2K1MAP2K2MEN1KMT2A
SCHEMBL6035670 0.80 MAP2K1 (0.59) MAP2K1MAP2K2MEN1KMT2AMAPK1
SCHEMBL29425477 0.80 MAP2K1 (0.78) MAP2K1MAP2K2MEN1KMT2A
SCHEMBL6948280 0.80 MAP2K1 (0.55) MAP2K1MAP2K2MEN1KMT2AMAPK1

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