SCHEMBL6946239

SCHEMBL6946239

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 2/20 0.50
IDO1 P14902 2/20 0.39
P2RY4 P51582 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
MKNK2 Q9HBH9 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
AKR1C3 P42330 4/20 0.36
AKR1C2 P52895 4/20 0.36
AKR1B10 O60218 2/20 0.36
AKR1B1 P15121 2/20 0.36
AKR1C1 Q04828 2/20 0.36
AKR1C4 P17516 1/20 0.36
AVPR2 P30518 1/20 0.36
OXTR P30559 1/20 0.36
AVPR1A P37288 1/20 0.36

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
SCHEMBL6944337 0.88 CLCN2 (0.38) CLCN2MAPK13MAPK12MAPK11MAPK14
SCHEMBL6944176 0.83 AKR1C3 (0.48) CLCN2MEN1KMT2AAKR1C3AKR1C2
SCHEMBL6944955 0.82 MAPT (0.49) MEN1KMT2AAKR1C3AKR1C2GRIK1
SCHEMBL6947283 0.81 MAP2K1 (0.54) CLCN2MEN1KMT2AMAPK1MAP2K1
SCHEMBL4855512 0.79 IDO1 (0.61) CLCN2IDO1P2RY4MAPK13MAPK12
SCHEMBL6035661 0.79 CLCN2 (0.54) CLCN2IDO1P2RY4MAPK13MAPK12
SCHEMBL6943682 0.78 MAP2K1 (0.55) MEN1KMT2AMAPK1MAP2K1TDP1
SCHEMBL6944102 0.78 MEN1 (0.46) CLCN2IDO1MEN1KMT2AMAPK1
SCHEMBL27585113 0.78 MEN1 (0.41) CLCN2MEN1KMT2AMAPK1AKR1C3
SCHEMBL6948311 0.77 CLCN2 (0.52) CLCN2IDO1P2RY4MAPK13MAPK12

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 13 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
CN-1365277-A Methods of treating chronic pain using MEK inhibitors VARNER LAMBERT CO (US) 2002-08-21 CN 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
CN-1365277-A Methods of treating chronic pain using MEK inhibitors VARNER LAMBERT CO (US) 2002-08-21 CN 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