SCHEMBL6978457

SCHEMBL6978457

COc1ccc2c(c1)c(OC(C(=O)O)c1ccc(Cl)c(Cl)c1)nn2CCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.43
ACHE P22303 6/20 0.43
CNR1 P21554 5/20 0.43
ADORA1 P30542 3/20 0.39
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
BCL2 P10415 2/20 0.35
PTGS2 P35354 1/20 0.35
GAA P10253 1/20 0.35
PLA2G4A P47712 1/20 0.35

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
SCHEMBL6977942 0.92 CNR2 (0.44) CNR2ACHECNR1MAPTKDM4E
SCHEMBL6970142 0.79 CNR2 (0.54) CNR2ACHECNR1MAPTHPGD
SCHEMBL6973555 0.76 ACHE (0.48) CNR2ACHECNR1MAPTKDM4E
SCHEMBL6968101 0.75 CNR2 (0.48) CNR2ACHECNR1MAPTKDM4E
SCHEMBL6975193 0.74 CNR2 (0.51) CNR2ACHECNR1MAPTHPGD
SCHEMBL6973625 0.72 ALDH1A1 (0.51) CNR2ACHECNR1MAPTHPGD
SCHEMBL6970884 0.71 CNR2 (0.54) CNR2ACHECNR1
SCHEMBL6967696 0.70 ACHE (0.44) CNR2ACHECNR1MAPTALDH1A1
SCHEMBL6975356 0.69 LMNA (0.45) MAPTKDM4EALDH1A1PTGS2
SCHEMBL6973989 0.69 CNR2 (0.55) CNR2ACHECNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077947-B1 NOVEL 1,5 AND 3-O-SUBSTITUTED 1H-INDAZOLES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS DRESDEN ARZNEIMITTEL (DE) 2003-09-03 EP claimed