SCHEMBL6973555

SCHEMBL6973555

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.48
CNR2 P34972 3/20 0.48
CNR1 P21554 2/20 0.48
PKM P14618 1/20 0.44
MAPT P10636 4/20 0.44
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
KDM4E B2RXH2 3/20 0.42
LTA4H P09960 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
BCHE P06276 1/20 0.42
LMNA P02545 4/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL8444741 0.87 KCNJ1 (0.53) ACHECNR2CNR1MAPTMAPK1
SCHEMBL6970142 0.83 CNR2 (0.54) ACHECNR2CNR1PKMMAPT
SCHEMBL8448901 0.80 ACHE (0.43) ACHECNR2CNR1PKMMAPT
SCHEMBL6975193 0.80 CNR2 (0.51) ACHECNR2CNR1PKMMAPT
SCHEMBL6968101 0.79 CNR2 (0.48) ACHECNR2CNR1PKMMAPT
SCHEMBL8522112 0.78 LMNA (0.43) MAPTPOLBHTTALDH1A1TDP1
SCHEMBL6972205 0.78 MAPT (0.56) ACHECNR2CNR1MAPTPIK3R1
SCHEMBL6970884 0.78 CNR2 (0.54) ACHECNR2CNR1PKMBCHE
SCHEMBL6973625 0.77 ALDH1A1 (0.51) ACHECNR2CNR1MAPTMAPK1
SCHEMBL6977942 0.77 CNR2 (0.44) ACHECNR2CNR1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888307-A1 1,3,5-TRISUBSTITUTED INDAZOLE DERIVATIVES WITH AN ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING ACTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 1999-01-07 EP claimed
US-5776932-A ANTIALLERGENS, ANTIASTHMATICS, ANTIINFLAMMATORY AGENTS AND MODULATORS ARZNEIMITTELWERK DRESDEN G.M.B.H. (DE) 1998-07-07 US claimed
WO-1997034874-A1 1,3,5-TRISUBSTITUTED INDAZOLE DERIVATIVES WITH AN ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING ACTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 1997-09-25 WO 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
EP-1077947-A1 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 ARZNEIMITTELWERK DRESDEN GMBH (DE) 2001-02-28 EP disclosed
US-6166023-A 1,5- and 3-O-substituted 1H-indazoles having anti-asthmatic, anti-allergic, anti-inflammatory, immunomodulating and neuroprotective action, process for their preparation and their use as medicaments ARZNEIMITTELWERK DRESDEN GMBH (DE) 2000-12-26 US disclosed
WO-1999058503-A1 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 ARZNEIMITTELWERK DRESDEN GMBH (DE) 1999-11-18 WO disclosed
EP-0888307-A1 1,3,5-TRISUBSTITUTED INDAZOLE DERIVATIVES WITH AN ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING ACTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 1999-01-07 EP disclosed
US-5776932-A ANTIALLERGENS, ANTIASTHMATICS, ANTIINFLAMMATORY AGENTS AND MODULATORS ARZNEIMITTELWERK DRESDEN G.M.B.H. (DE) 1998-07-07 US disclosed
WO-1997034874-A1 1,3,5-TRISUBSTITUTED INDAZOLE DERIVATIVES WITH AN ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING ACTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 1997-09-25 WO disclosed