SCHEMBL16627149

SCHEMBL16627149

COc1ccc(C(OCc2cccnc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
CYP19A1 P11511 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GSK3B P49841 2/20 0.42
LTA4H P09960 1/20 0.41
KCNA5 P22460 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
SCHEMBL28241152 0.85 LTA4H (0.52) LTA4H
Hydrochloric Acid SCHEMBL30186367 0.84 LTA4H (0.50) LTA4H
SCHEMBL16627145 0.83 LTA4H (0.41) KMT2AHTTSMN1; SMN2LTA4H
SCHEMBL16624686 0.79 NPC1 (0.44) GAAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL19021001 0.77 LTA4H (0.46) KMT2AHTTSMN1; SMN2LTA4H
SCHEMBL7753927 0.77 CALM1 (0.50) CYP1A2CYP3A4CYP2C19HIF1AKMT2A
SCHEMBL20495588 0.77 CALM1 (0.50) CYP1A2CYP3A4CYP2C19HIF1AKMT2A
SCHEMBL19020521 0.77 KIF11 (0.50) HTTSMN1; SMN2LTA4H
SCHEMBL16624711 0.77 GABRA1 (0.48) SMN1; SMN2LTA4H
SCHEMBL8361615 0.76 MAPK1 (0.56) GAAHTR1ADRD2CRHBPCRHR2

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
WO-2015051044-A2 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO disclosed