SCHEMBL6973625

SCHEMBL6973625

COc1ccc2c(c1)c(OCc1cc(C(C)=O)ccc1OC)nn2CCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
GAA P10253 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CNR2 P34972 6/20 0.51
ACHE P22303 5/20 0.51
CNR1 P21554 5/20 0.51
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
MAOB P27338 1/20 0.44
MAPT P10636 3/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL6970884 0.81 CNR2 (0.54) CNR2ACHECNR1
SCHEMBL6970142 0.79 CNR2 (0.54) ALDH1A1CNR2ACHECNR1LMNA
SCHEMBL6973555 0.77 ACHE (0.48) ALDH1A1CNR2ACHECNR1LMNA
SCHEMBL6973246 0.76 KMT2A (0.47) ALDH1A1GAACNR2ACHECNR1
SCHEMBL6975193 0.76 CNR2 (0.51) ALDH1A1CNR2ACHECNR1LMNA
SCHEMBL6973989 0.75 CNR2 (0.55) CNR2ACHECNR1MAOB
SCHEMBL6968101 0.75 CNR2 (0.48) ALDH1A1CNR2ACHECNR1MAPT
SCHEMBL6967341 0.73 MAPT (0.44) ALDH1A1CNR2ACHECNR1LMNA
SCHEMBL6977942 0.73 CNR2 (0.44) ALDH1A1GAACNR2ACHECNR1
SCHEMBL6967696 0.73 ACHE (0.44) ALDH1A1CNR2ACHECNR1MAPT

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 2 patents. 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
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 disclosed