SCHEMBL6946807

SCHEMBL6946807

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
MAPK1 P28482 1/20 0.46
MAP2K1 Q02750 6/20 0.40
MCL1 Q07820 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GFER P55789 1/20 0.39
MAP2K2 P36507 3/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
CLCN2 P51788 1/20 0.36
KCNK2 O95069 1/20 0.35
KCNK10 P57789 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
IDO1 P14902 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6944335 0.89 MAP2K1 (0.41) KMT2AMEN1MAPK1MAP2K1SMN1; SMN2
SCHEMBL6950406 0.88 KMT2A (0.48) KMT2AMEN1MAPK1MAP2K1MCL1
SCHEMBL6950981 0.87 MAP2K1 (0.47) KMT2AMEN1MAPK1MAP2K1MCL1
SCHEMBL2387610 0.83 MAP2K1 (0.53) KMT2AMEN1MAPK1MAP2K1SMN1; SMN2
SCHEMBL6948250 0.83 MAP2K1 (0.56) KMT2AMEN1MAPK1MAP2K1MCL1
SCHEMBL13841944 0.81 MEN1 (0.60) KMT2AMEN1MAPK1MAP2K1ALDH1A1
SCHEMBL6946682 0.80 AURKA (0.47) KMT2AMEN1MAPK1MAP2K1SMN1; SMN2
SCHEMBL6948269 0.80 MEN1 (0.45) KMT2AMEN1MAPK1MAP2K1SMN1; SMN2
SCHEMBL6944123 0.79 MEN1 (0.44) KMT2AMEN1MAPK1MAP2K1SMN1; SMN2
SCHEMBL6947374 0.79 MEN1 (0.63) KMT2AMEN1MAP2K1MAP2K2TDP1

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