SCHEMBL6970142

SCHEMBL6970142

COc1ccc2c(c1)c(OCCOc1ccc(Cl)cc1)nn2CCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.54
CNR1 P21554 7/20 0.54
ACHE P22303 6/20 0.54
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.41
PTGS2 P35354 2/20 0.41
BCHE P06276 1/20 0.41
PKM P14618 1/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6979206 0.90 CNR2 (0.41) CNR2CNR1ACHEMAPTLMNA
SCHEMBL6975193 0.89 CNR2 (0.51) CNR2CNR1ACHEMAPTLMNA
SCHEMBL6977942 0.85 CNR2 (0.44) CNR2CNR1ACHEMAPTLMNA
SCHEMBL6979571 0.85 CNR2 (0.56) CNR2CNR1ACHEMAPTLMNA
SCHEMBL6972954 0.84 HTR6 (0.42) CNR2CNR1ACHEMAPTLMNA
SCHEMBL6969602 0.83 CNR2 (0.52) CNR2CNR1ACHEMAPTKMT2A
SCHEMBL6973555 0.83 ACHE (0.48) CNR2CNR1ACHEMAPTLMNA
SCHEMBL6970939 0.82 CNR2 (0.47) CNR2CNR1ACHEMAPTLMNA
SCHEMBL6970884 0.82 CNR2 (0.54) CNR2CNR1ACHEBCHEPKM
SCHEMBL6973326 0.82 CNR2 (0.58) CNR2CNR1ACHEMAPTMEN1

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