SCHEMBL6979571

SCHEMBL6979571

COc1ccc2c(c1)c(OCCOc1ccc(Cl)cc1)nn2Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.56
ACHE P22303 7/20 0.56
CNR1 P21554 7/20 0.56
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PIK3R1 P27986 1/20 0.47
PIK3CA P42336 1/20 0.47
PLA2G2A P14555 1/20 0.45
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
CCR2 P41597 1/20 0.41
HPGD P15428 1/20 0.41
MGLL Q99685 1/20 0.41
ABHD6 Q9BV23 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL6973326 0.94 CNR2 (0.58) CNR2ACHECNR1MAPTSMN1; SMN2
SCHEMBL6969154 0.88 CNR2 (0.54) CNR2ACHECNR1MAPTSMN1; SMN2
SCHEMBL6975679 0.86 CNR2 (0.49) CNR2ACHECNR1MAPTSMN1; SMN2
SCHEMBL6978241 0.86 CNR2 (0.49) CNR2ACHECNR1MAPTSMN1; SMN2
SCHEMBL6967955 0.85 CNR2 (0.61) CNR2ACHECNR1MAPTSMN1; SMN2
SCHEMBL6970142 0.85 CNR2 (0.54) CNR2ACHECNR1MAPTPIK3R1
SCHEMBL6967463 0.84 PLA2G2A (0.48) CNR2ACHECNR1MAPTSMN1; SMN2
SCHEMBL6969602 0.83 CNR2 (0.52) CNR2ACHECNR1MAPTSMN1; SMN2
SCHEMBL6969393 0.83 CNR2 (0.64) CNR2ACHECNR1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL6971824 0.82 CNR2 (0.63) CNR2ACHECNR1MAPTSMN1; 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 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