SCHEMBL6975679

SCHEMBL6975679

COc1ccc2c(c1)c(OCCOc1ccc(C(=O)NO)cc1)nn2Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.49
ACHE P22303 6/20 0.49
CNR1 P21554 4/20 0.49
PLA2G2A P14555 1/20 0.47
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PIK3R1 P27986 1/20 0.43
PIK3CA P42336 1/20 0.43
PTGER4 P35408 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
ELANE P08246 1/20 0.42

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
SCHEMBL6973326 0.89 CNR2 (0.58) CNR2ACHECNR1PLA2G2AMAPT
SCHEMBL6978241 0.89 CNR2 (0.49) CNR2ACHECNR1PLA2G2AMAPT
SCHEMBL6979571 0.86 CNR2 (0.56) CNR2ACHECNR1PLA2G2AMAPT
SCHEMBL6969154 0.83 CNR2 (0.54) CNR2ACHECNR1PLA2G2AMAPT
SCHEMBL6971235 0.79 CNR2 (0.47) CNR2ACHECNR1PLA2G2AMAPT
SCHEMBL6969393 0.78 CNR2 (0.64) CNR2ACHECNR1PLA2G2AMAPT
SCHEMBL6971046 0.78 CNR1 (0.45) CNR2ACHECNR1PLA2G2APTGER4
SCHEMBL6967955 0.78 CNR2 (0.61) CNR2ACHECNR1PLA2G2AMAPT
Hydrochloric Acid SCHEMBL6971824 0.78 CNR2 (0.63) CNR2ACHECNR1PLA2G2AMAPT
SCHEMBL6972205 0.77 MAPT (0.56) CNR2ACHECNR1PLA2G2AMAPT

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 1 patent. 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