SCHEMBL6948675

SCHEMBL6948675

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

nearest known ligand 0.42

Predicted protein targets (top 15)

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 2/20 0.40
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 5/20 0.39
LMNA P02545 2/20 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
SCHEMBL6951303 0.89 MAPT (0.49) NPC1RAB9ATDP1HTTGAA
SCHEMBL6943854 0.87 KMT2A (0.42) NPC1RAB9ATDP1HTTSMN1; SMN2
SCHEMBL5400271 0.83 RAB9A (0.46) NPC1RAB9ATDP1HTTSMN1; SMN2
SCHEMBL6943863 0.82 MAP2K1 (0.60) NPC1RAB9ATDP1SMN1; SMN2ALDH1A1
SCHEMBL6943869 0.81 NPC1 (0.42) NPC1RAB9ATDP1HTTSMN1; SMN2
SCHEMBL6950018 0.81 MAPT (0.47) NPC1RAB9ATDP1HTTSMN1; SMN2
SCHEMBL6946671 0.80 NPC1 (0.42) NPC1RAB9ATDP1HTTSMN1; SMN2
SCHEMBL6944138 0.75 KMT2A (0.47) NPC1RAB9ATDP1HTTSMN1; SMN2
SCHEMBL6946266 0.73 MAP2K1 (0.42)
SCHEMBL5391688 0.72 MAPT (0.44) NPC1RAB9ATDP1SMN1; SMN2GAA

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