SCHEMBL6950406

SCHEMBL6950406

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.44
MAP2K1 Q02750 5/20 0.41
MAP2K2 P36507 2/20 0.41
MCL1 Q07820 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GFER P55789 1/20 0.40
IDO1 P14902 1/20 0.40
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
CLCN2 P51788 1/20 0.37
AURKA O14965 2/20 0.36
TNFRSF1A P19438 2/20 0.36
KDR P35968 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
SCHEMBL6943879 0.88 KMT2A (0.48) KMT2AMEN1MAPK1TDP1MAP2K1
SCHEMBL6946807 0.88 KMT2A (0.46) KMT2AMEN1MAPK1TDP1MAP2K1
SCHEMBL6948250 0.88 MAP2K1 (0.56) KMT2AMEN1MAPK1MAP2K1MAP2K2
SCHEMBL27565272 0.82 KMT2A (0.42) KMT2AMEN1MAPK1TDP1MAP2K1
SCHEMBL4853895 0.82 MEN1 (0.62) KMT2AMEN1MAPK1TDP1MAP2K1
SCHEMBL6948716 0.79 AURKA (0.51) KMT2AMEN1MAPK1TDP1MAP2K1
SCHEMBL6944532 0.79 MEN1 (0.47) KMT2AMEN1MAPK1TDP1MAP2K1
SCHEMBL6950462 0.78 MEN1 (0.76) KMT2AMEN1TDP1MAP2K1MAP2K2
SCHEMBL6948913 0.78 MAP2K1 (0.43) KMT2AMEN1MAPK1MAP2K1MAP2K2
SCHEMBL6944102 0.78 MEN1 (0.46) KMT2AMEN1MAPK1TDP1MAP2K1

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