SCHEMBL6969154

SCHEMBL6969154

COc1ccc2c(c1)c(OCCOc1c(Br)cc([N+](=O)[O-])cc1Br)nn2Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.54
CNR1 P21554 9/20 0.54
ACHE P22303 8/20 0.54
PIK3R1 P27986 3/20 0.47
PIK3CA P42336 3/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PLA2G2A P14555 1/20 0.44
MGLL Q99685 1/20 0.42
ABHD6 Q9BV23 1/20 0.42
BCHE P06276 1/20 0.38

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
SCHEMBL6971235 0.90 CNR2 (0.47) CNR2CNR1ACHEPIK3R1PIK3CA
SCHEMBL6973326 0.88 CNR2 (0.58) CNR2CNR1ACHEPIK3R1PIK3CA
SCHEMBL6979571 0.88 CNR2 (0.56) CNR2CNR1ACHEPIK3R1PIK3CA
SCHEMBL6975193 0.84 CNR2 (0.51) CNR2CNR1ACHEPIK3R1PIK3CA
SCHEMBL6975679 0.83 CNR2 (0.49) CNR2CNR1ACHEPIK3R1PIK3CA
SCHEMBL6967955 0.82 CNR2 (0.61) CNR2CNR1ACHEPIK3R1PIK3CA
SCHEMBL6978241 0.81 CNR2 (0.49) CNR2CNR1ACHEPIK3R1PIK3CA
SCHEMBL6969393 0.81 CNR2 (0.64) CNR2CNR1ACHEPIK3R1PIK3CA
Hydrochloric Acid SCHEMBL6971824 0.80 CNR2 (0.63) CNR2CNR1ACHEPIK3R1PIK3CA
SCHEMBL6971751 0.79 CNR2 (0.41) CNR2CNR1ACHEPIK3R1PIK3CA

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