SCHEMBL6944335

SCHEMBL6944335

CSc1ccc(Nc2c(C(=O)NO)cc(Br)c(F)c2F)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 7/20 0.41
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
MAPK1 P28482 1/20 0.40
MAP2K2 P36507 2/20 0.40
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
GFER P55789 1/20 0.34
HDAC1 Q13547 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
PKM P14618 1/20 0.32
LMNA P02545 1/20 0.32
HDAC3 O15379 1/20 0.32

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 0.89 KMT2A (0.48) MAP2K1KMT2AMEN1MAPK1MAP2K2
SCHEMBL6946807 0.89 KMT2A (0.46) MAP2K1KMT2AMEN1MAPK1MAP2K2
SCHEMBL6948913 0.85 MAP2K1 (0.43) MAP2K1KMT2AMEN1MAPK1MAP2K2
SCHEMBL5388205 0.83 MEN1 (0.53) MAP2K1KMT2AMEN1MAPK1MAP2K2
SCHEMBL6947374 0.82 MEN1 (0.63) MAP2K1KMT2AMEN1MAP2K2TDP1
SCHEMBL6946674 0.81 MAP2K1 (0.42) MAP2K1KMT2AMEN1MAPK1MAP2K2
SCHEMBL6950263 0.81 MAP2K1 (0.40) MAP2K1KMT2AMEN1MAPK1MAP2K2
SCHEMBL27577420 0.80 KMT2A (0.40) MAP2K1KMT2AMEN1MAPK1MAP2K2
SCHEMBL6948517 0.80 MAP2K1 (0.40) MAP2K1KMT2AMEN1MAPK1MAP2K2
SCHEMBL6948734 0.77 MAPT (0.43) MAP2K1KMT2AMAPK1MAP2K2MAPT

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 3 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
EP-1150950-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2001-11-07 EP claimed
WO-2000041505-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2000-07-20 WO claimed