SCHEMBL6944176

SCHEMBL6944176

C[S+]([O-])c1ccc(Nc2cc(F)ccc2C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 13/20 0.48
AKR1C2 P52895 13/20 0.48
CLCN2 P51788 1/20 0.47
GRIK1 P39086 2/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
PABPC1 P11940 1/20 0.40
KMT2A Q03164 1/20 0.40
MPO P05164 2/20 0.40
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
NGLY1 Q96IV0 1/20 0.39

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
SCHEMBL6946239 0.83 CLCN2 (0.50) AKR1C3AKR1C2CLCN2GRIK1MEN1
SCHEMBL21327632 0.81 AKR1C3 (0.65) AKR1C3AKR1C2CLCN2MEN1KMT2A
SCHEMBL6951978 0.80 CLCN2 (0.51) AKR1C3AKR1C2CLCN2
SCHEMBL848085 0.79 AKR1C3 (0.60) AKR1C3AKR1C2CLCN2GRIK1MPO
SCHEMBL6950478 0.78 AKR1C3 (0.50) AKR1C3AKR1C2CLCN2GRIK1MEN1
SCHEMBL1415570 0.74 MAPT (0.56) AKR1C3AKR1C2GRIK1MEN1KMT2A
SCHEMBL26596770 0.74 AKR1C3 (0.58) AKR1C3AKR1C2CLCN2GRIK1MPO
SCHEMBL4226484 0.74 XDH (0.54) AKR1C3AKR1C2GRIK1MAPTGFER
SCHEMBL14392041 0.74 AKR1C3 (0.51) AKR1C3AKR1C2CLCN2GRIK1MAPT
SCHEMBL7833932 0.73 AKR1C3 (0.44) AKR1C3AKR1C2CLCN2MEN1KMT2A

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 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