SCHEMBL6967696

SCHEMBL6967696

COc1ccc2c(c1)c(OCC(=O)Nc1ccc(F)cc1F)nn2CCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.44
CNR2 P34972 3/20 0.44
CNR1 P21554 2/20 0.44
MAPT P10636 3/20 0.43
BRD4 O60885 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.40
TP53 P04637 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 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
SCHEMBL6970939 0.78 CNR2 (0.47) ACHECNR2CNR1MAPTALDH1A1
SCHEMBL6970142 0.76 CNR2 (0.54) ACHECNR2CNR1MAPTKMT2A
SCHEMBL6973555 0.75 ACHE (0.48) ACHECNR2CNR1MAPTSMN1; SMN2
SCHEMBL6969602 0.75 CNR2 (0.52) ACHECNR2CNR1MAPTSMN1; SMN2
SCHEMBL6970855 0.75 KCNA5 (0.53) MAPTBRD4SMN1; SMN2KMT2ANPC1
SCHEMBL9058581 0.74 HTT (0.43) ACHECNR2CNR1MAPTSMN1; SMN2
SCHEMBL6970884 0.74 CNR2 (0.54) ACHECNR2CNR1
SCHEMBL6975193 0.74 CNR2 (0.51) ACHECNR2CNR1MAPTALDH1A1
SCHEMBL6973625 0.73 ALDH1A1 (0.51) ACHECNR2CNR1MAPTKMT2A
SCHEMBL6968101 0.73 CNR2 (0.48) ACHECNR2CNR1MAPTALDH1A1

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