SCHEMBL6970884

SCHEMBL6970884

COc1ccc2c(c1)c(OCc1ccccc1CF)nn2CCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.54
CNR1 P21554 10/20 0.54
ACHE P22303 7/20 0.54
BCHE P06276 3/20 0.49
PKM P14618 1/20 0.41
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 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
SCHEMBL6970142 0.82 CNR2 (0.54) CNR2CNR1ACHEBCHEPKM
SCHEMBL6973625 0.81 ALDH1A1 (0.51) CNR2CNR1ACHE
SCHEMBL6973989 0.81 CNR2 (0.55) CNR2CNR1ACHEBCHE
SCHEMBL6973246 0.80 KMT2A (0.47) CNR2CNR1ACHEBCHE
SCHEMBL6975193 0.79 CNR2 (0.51) CNR2CNR1ACHEBCHEPKM
SCHEMBL6973555 0.78 ACHE (0.48) CNR2CNR1ACHEBCHEPKM
SCHEMBL6968101 0.78 CNR2 (0.48) CNR2CNR1ACHEBCHEPKM
SCHEMBL6970939 0.76 CNR2 (0.47) CNR2CNR1ACHEBCHEPKM
SCHEMBL6973326 0.75 CNR2 (0.58) CNR2CNR1ACHEBCHEPIK3R1
SCHEMBL6969602 0.75 CNR2 (0.52) 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