SCHEMBL6946671

SCHEMBL6946671

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 6/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL6944955 0.89 MAPT (0.49) NPC1RAB9ATDP1HTTGAA
SCHEMBL6944337 0.83 CLCN2 (0.38) NPC1RAB9AHTTSMN1; SMN2ALDH1A1
SCHEMBL5400271 0.83 RAB9A (0.46) NPC1RAB9ATDP1HTTSMN1; SMN2
SCHEMBL6945725 0.82 MAP2K1 (0.53) NPC1RAB9ATDP1SMN1; SMN2ALDH1A1
SCHEMBL6950018 0.81 MAPT (0.47) NPC1RAB9ATDP1HTTSMN1; SMN2
SCHEMBL6943869 0.81 NPC1 (0.42) NPC1RAB9ATDP1HTTSMN1; SMN2
SCHEMBL6948675 0.80 NPC1 (0.42) NPC1RAB9ATDP1HTTSMN1; SMN2
SCHEMBL6945853 0.74 MAP2K1 (0.41)
SCHEMBL5391688 0.72 MAPT (0.44) NPC1RAB9ATDP1SMN1; SMN2GAA
SCHEMBL6946179 0.72 MEN1 (0.46) TDP1SMN1; SMN2KMT2AMEN1

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 6 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
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