SCHEMBL28575694

SCHEMBL28575694

Brc1ccc2[nH]cc(C(c3cccc4ccccc34)c3c[nH]c4ccc(Br)cc34)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 3/20 0.60
SRC P12931 1/20 0.48
MGAM O43451 3/20 0.43
GAA P10253 3/20 0.43
SI P14410 3/20 0.43
MGAM2 Q2M2H8 3/20 0.43
GPR84 Q9NQS5 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CCKBR P32239 1/20 0.40
HTR2A P28223 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
HTR1A P08908 1/20 0.39
IDO1 P14902 1/20 0.39
CSNK2A1 P68400 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL8592583 0.84 GUSB (0.63) GUSBSRCMGAMGAASI
SCHEMBL13404946 0.83 MAPT (0.53) SRCMGAMGAASIMGAM2
SCHEMBL28585622 0.79 GUSB (0.66) GUSBSRCMGAMGAASI
SCHEMBL18365294 0.77 GUSB (0.70) GUSBSRCMGAMGAASI
SCHEMBL24145353 0.72 GUSB (0.57) GUSBMGAMGAASIMGAM2
SCHEMBL29039785 0.72 GUSB (0.51) GUSBSRCMGAMGAASI
SCHEMBL2494544 0.72 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL22922694 0.72 MGAM (0.60) GUSBSRCMGAMGAASI
SCHEMBL3156224 0.72 SRC (0.54) GUSBSRCGPR84HTR2ATRPM8
SCHEMBL31744902 0.71 IDO1 (0.47) GUSBSRCMGAMGAASI

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
CN-113045474-A Application of alkaloid arnodine and derivatives thereof in preventing and treating plant virus and bacterial diseases 天津师范大学 2021-06-29 CN disclosed