SCHEMBL6977942

SCHEMBL6977942

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.44
ACHE P22303 6/20 0.44
CNR1 P21554 5/20 0.44
PTGS2 P35354 3/20 0.41
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
BCL2 P10415 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL6978457 0.92 CNR2 (0.43) CNR2ACHECNR1PTGS2TDP1
SCHEMBL6970142 0.85 CNR2 (0.54) CNR2ACHECNR1PTGS2TDP1
SCHEMBL6975356 0.77 LMNA (0.45) PTGS2LMNAMAPTMEN1KMT2A
SCHEMBL6973555 0.77 ACHE (0.48) CNR2ACHECNR1PTGS2TDP1
SCHEMBL6968101 0.76 CNR2 (0.48) CNR2ACHECNR1TDP1MAPT
SCHEMBL6979206 0.75 CNR2 (0.41) CNR2ACHECNR1LMNAMAPT
SCHEMBL6975193 0.75 CNR2 (0.51) CNR2ACHECNR1LMNAMAPT
SCHEMBL6973625 0.73 ALDH1A1 (0.51) CNR2ACHECNR1LMNAMAPT
SCHEMBL6970884 0.72 CNR2 (0.54) CNR2ACHECNR1
SCHEMBL6979571 0.72 CNR2 (0.56) CNR2ACHECNR1TDP1LMNA

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