SCHEMBL6969393

SCHEMBL6969393

COc1ccc2c(c1)c(OCc1ccncc1)nn2Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.64
CNR1 P21554 10/20 0.64
ACHE P22303 8/20 0.64
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SLC2A1 P11166 2/20 0.48
PIK3R1 P27986 1/20 0.47
PIK3CA P42336 1/20 0.47
PLA2G2A P14555 1/20 0.45
BCHE P06276 1/20 0.45

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
Hydrochloric Acid SCHEMBL6971824 0.99 CNR2 (0.63) CNR2CNR1ACHEMAPTSMN1; SMN2
SCHEMBL6967955 0.86 CNR2 (0.61) CNR2CNR1ACHEMAPTSMN1; SMN2
SCHEMBL6973326 0.85 CNR2 (0.58) CNR2CNR1ACHEMAPTSMN1; SMN2
SCHEMBL6979571 0.83 CNR2 (0.56) CNR2CNR1ACHEMAPTSMN1; SMN2
SCHEMBL6969154 0.81 CNR2 (0.54) CNR2CNR1ACHEMAPTSMN1; SMN2
SCHEMBL6965786 0.81 CNR2 (0.54) CNR2CNR1ACHEMAPTSMN1; SMN2
SCHEMBL6972205 0.80 MAPT (0.56) CNR2CNR1ACHEMAPTSMN1; SMN2
SCHEMBL7116425 0.79 CNR2 (1.00) CNR2CNR1ACHEBCHE
SCHEMBL6978241 0.78 CNR2 (0.49) CNR2CNR1ACHEMAPTSMN1; SMN2
SCHEMBL6975679 0.78 CNR2 (0.49) CNR2CNR1ACHEMAPTSMN1; SMN2

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