SCHEMBL6943854

SCHEMBL6943854

C#Cc1ccc(Nc2cc([N+](=O)[O-])ccc2C(=O)NO)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.42
MAPT P10636 6/20 0.42
MEN1 O00255 4/20 0.42
NPC1 O15118 3/20 0.42
MAPK1 P28482 3/20 0.42
RAB9A P51151 3/20 0.42
KDR P35968 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
AURKA O14965 1/20 0.42
PDPK1 O15530 1/20 0.42
JAK2 O60674 1/20 0.42
GMNN O75496 1/20 0.42
ALDH1A1 P00352 1/20 0.42
EGFR P00533 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
LYN P07948 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL6944138 0.89 KMT2A (0.47) KMT2AMAPTMEN1NPC1MAPK1
SCHEMBL6948675 0.87 NPC1 (0.42) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL5384280 0.83 KMT2A (0.47) KMT2AMAPTMEN1NPC1MAPK1
SCHEMBL6944268 0.82 MAP2K1 (0.49) KMT2AMAPTMEN1NPC1MAPK1
SCHEMBL6951303 0.75 MAPT (0.49) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL6946169 0.73 MAP2K1 (0.53) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL5391688 0.72 MAPT (0.44) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL5400271 0.71 RAB9A (0.46) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5386919 0.71 MAP2K1 (0.47) KMT2AMAPTMEN1RORC
SCHEMBL6036445 0.71 MAP2K1 (0.53) KMT2AMAPTMEN1NPC1MAPK1

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 13 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
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