SCHEMBL6944955

SCHEMBL6944955

Cc1cc([S+](C)[O-])ccc1Nc1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
MPO P05164 1/20 0.47
AKR1C3 P42330 4/20 0.46
AKR1C2 P52895 4/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
CTSV O60911 2/20 0.46
CTSL P07711 2/20 0.46
MYC P01106 1/20 0.45
MAX P61244 1/20 0.45
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 2/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL6946671 0.89 NPC1 (0.42) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL6036299 0.82 IDO1 (0.56) MAPTMPOAKR1C3AKR1C2KMT2A
SCHEMBL6946239 0.82 CLCN2 (0.50) MPOAKR1C3AKR1C2KMT2AMEN1
SCHEMBL6947395 0.80 MAPT (0.50) MAPTMPOAKR1C3AKR1C2KMT2A
SCHEMBL6946092 0.80 MAPT (0.50) MAPTMPOAKR1C3AKR1C2KMT2A
SCHEMBL6945725 0.80 MAP2K1 (0.53) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL6951303 0.79 MAPT (0.49) MAPTMPOAKR1C3AKR1C2KMT2A
SCHEMBL22720115 0.74 MYC (0.65) MAPTMPOAKR1C3AKR1C2KMT2A
SCHEMBL38658544 0.73 RXRB (0.42) MYCALDH1A1CYP1A2
SCHEMBL5678051 0.73 MAPT (0.60) MAPTAKR1C3AKR1C2KMT2AMEN1

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