SCHEMBL6967463

SCHEMBL6967463

COc1ccc2c(c1)c(OC(=O)Cc1ccc(Cl)cc1)nn2Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.48
CNR2 P34972 6/20 0.48
ACHE P22303 5/20 0.48
CNR1 P21554 3/20 0.48
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
PIK3R1 P27986 1/20 0.44
PIK3CA P42336 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CCR2 P41597 1/20 0.43
PTGS2 P35354 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PKM P14618 2/20 0.41
RGS12 O14924 1/20 0.41

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
SCHEMBL6966956 0.84 CNR2 (0.42) PLA2G2ACNR2ACHECNR1MAPT
SCHEMBL6979571 0.84 CNR2 (0.56) PLA2G2ACNR2ACHECNR1MAPT
SCHEMBL6967955 0.79 CNR2 (0.61) PLA2G2ACNR2ACHECNR1MAPT
SCHEMBL6972205 0.79 MAPT (0.56) PLA2G2ACNR2ACHECNR1MAPT
SCHEMBL6973326 0.78 CNR2 (0.58) PLA2G2ACNR2ACHECNR1MAPT
SCHEMBL6969393 0.76 CNR2 (0.64) PLA2G2ACNR2ACHECNR1MAPT
SCHEMBL6969154 0.76 CNR2 (0.54) PLA2G2ACNR2ACHECNR1MAPT
Hydrochloric Acid SCHEMBL6971824 0.76 CNR2 (0.63) PLA2G2ACNR2ACHECNR1MAPT
SCHEMBL6978241 0.75 CNR2 (0.49) PLA2G2ACNR2ACHECNR1MAPT
SCHEMBL6975679 0.75 CNR2 (0.49) PLA2G2ACNR2ACHECNR1MAPT

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