SCHEMBL6981759

SCHEMBL6981759

COC(=O)C=Cc1cc([N+](=O)[O-])ccc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.53
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
GLA P06280 2/20 0.50
PKM P14618 1/20 0.50
NTSR1 P30989 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HSP90AA1 P07900 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NLRP1 Q9C000 1/20 0.49
BACE1 P56817 1/20 0.49

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
SCHEMBL6981756 1.00 TLR9 (0.53) TLR9LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL1531401 0.89 TYR (0.58) LMNASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL1531400 0.89 TYR (0.58) LMNASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL6588014 0.87 ALDH1A1 (0.57) TLR9LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL6588022 0.87 ALDH1A1 (0.57) TLR9LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL6980279 0.87 FDPS (0.51) TLR9LMNAALDH1A1MAPTTDP1
SCHEMBL6980282 0.87 FDPS (0.51) TLR9LMNAALDH1A1MAPTTDP1
SCHEMBL16971083 0.87 TLR9 (0.49) TLR9LMNAALDH1A1MAPTHTT
SCHEMBL6591011 0.86 MAPT (0.54) TLR9LMNAALDH1A1MAPTHTT
SCHEMBL6591007 0.86 MAPT (0.54) TLR9LMNAALDH1A1MAPTHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839806-B1 Substituted tricyclics LILLY CO ELI (US) 2003-07-09 EP disclosed
WO-1998018464-A1 SUBSTITUTED TRICYCLICS ELI LILLY AND COMPANY (US) 1998-05-07 WO disclosed
EP-0839806-A1 Substituted tricyclics ELI LILLY AND COMPANY (US) 1998-05-06 EP disclosed