SCHEMBL6944138

SCHEMBL6944138

C#Cc1ccc(Nc2cc([N+](=O)[O-])ccc2C(=O)O)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
MAPT P10636 6/20 0.47
MEN1 O00255 4/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
MPO P05164 1/20 0.47
CTSV O60911 2/20 0.46
CTSL P07711 2/20 0.46
MYC P01106 1/20 0.45
MAX P61244 1/20 0.45
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALOX15 P16050 1/20 0.43
SERPINE1 P05121 1/20 0.42
AURKA O14965 1/20 0.41
NPC1 O15118 1/20 0.41
PDPK1 O15530 1/20 0.41

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
SCHEMBL6943854 0.89 KMT2A (0.42) KMT2AMAPTMEN1PLA2G1BATG4B
SCHEMBL6951303 0.86 MAPT (0.49) KMT2AMAPTMEN1PLA2G1BATG4B
SCHEMBL6036445 0.82 MAP2K1 (0.53) KMT2AMAPTMEN1PLA2G1BATG4B
SCHEMBL6951921 0.81 CLCN2 (0.51) KMT2AMAPTMEN1PLA2G1BATG4B
SCHEMBL6944268 0.80 MAP2K1 (0.49) KMT2AMAPTMEN1ALDH1A1CYP3A4
SCHEMBL16737198 0.76 CTSV (0.54) KMT2AMAPTMEN1PLA2G1BATG4B
SCHEMBL3032927 0.75 CTSV (0.71) KMT2AMAPTMEN1PLA2G1BATG4B
SCHEMBL6948675 0.75 NPC1 (0.42) KMT2AMAPTMEN1ALDH1A1TDP1
SCHEMBL22720115 0.74 MYC (0.65) KMT2AMAPTMEN1MPOCTSV
SCHEMBL10628224 0.73 KMT2A (0.55) KMT2AMAPTMEN1MPOCTSV

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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