SCHEMBL6973246

SCHEMBL6973246

COc1ccc2c(c1)c(OCc1cc(F)cc3c1OCOC3)nn2CCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
CNR2 P34972 14/20 0.46
CNR1 P21554 9/20 0.46
ACHE P22303 7/20 0.46
BCHE P06276 2/20 0.41
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
EPHA2 P29317 1/20 0.37
KDR P35968 1/20 0.37
EPHB4 P54760 1/20 0.37
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL6970884 0.80 CNR2 (0.54) CNR2CNR1ACHEBCHE
SCHEMBL6971073 0.79 ALDH1A1 (0.49) KMT2AALDH1A1MEN1GAAHPGD
SCHEMBL6973625 0.76 ALDH1A1 (0.51) KMT2AALDH1A1MEN1CNR2CNR1
SCHEMBL6968493 0.76 HTR6 (0.40) KMT2AALDH1A1MEN1MAPTEPHA2
SCHEMBL6970142 0.75 CNR2 (0.54) KMT2AALDH1A1MEN1CNR2CNR1
SCHEMBL6966140 0.75 ALDH1A1 (0.50) KMT2AALDH1A1MEN1GAAHPGD
SCHEMBL6970939 0.74 CNR2 (0.47) ALDH1A1CNR2CNR1ACHEBCHE
SCHEMBL6973989 0.73 CNR2 (0.55) CNR2CNR1ACHEBCHE
SCHEMBL6967696 0.72 ACHE (0.44) KMT2AALDH1A1MEN1CNR2CNR1
SCHEMBL6977568 0.72 ALDH1A1 (0.49) KMT2AALDH1A1MEN1GAAHPGD

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