SCHEMBL6943869

SCHEMBL6943869

Cc1cc(S(C)(=O)=O)ccc1Nc1cc([N+](=O)[O-])ccc1C(=O)NO

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 6/20 0.42
MAPT P10636 5/20 0.42
POLB P06746 1/20 0.42
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
ALDH3A1 P30838 2/20 0.41
KMT2A Q03164 1/20 0.41
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6946092 0.88 MAPT (0.50) NPC1RAB9ATDP1ALDH1A1MAPT
SCHEMBL5400271 0.84 RAB9A (0.46) NPC1RAB9ATDP1ALDH1A1MAPT
SCHEMBL6950018 0.82 MAPT (0.47) NPC1RAB9ATDP1ALDH1A1MAPT
SCHEMBL6944332 0.81 MAP2K1 (0.54) NPC1RAB9ATDP1ALDH1A1MAPT
SCHEMBL6946671 0.81 NPC1 (0.42) NPC1RAB9ATDP1ALDH1A1MAPT
SCHEMBL6948675 0.81 NPC1 (0.42) NPC1RAB9ATDP1ALDH1A1MAPT
SCHEMBL6945746 0.74 MAP2K1 (0.42) ALDH3A1KDR
SCHEMBL5391688 0.73 MAPT (0.44) NPC1RAB9ATDP1MAPTSMN1; SMN2
SCHEMBL28968698 0.72 ALDH1A1 (0.64) NPC1RAB9ATDP1ALDH1A1MAPT
SCHEMBL5386919 0.72 MAP2K1 (0.47) MAPTKMT2A

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 7 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