SCHEMBL29056537

SCHEMBL29056537

Cc1ccccc1-c1nc2c(Br)cccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 15/20 0.60
▸ GAA P10253 15/20 0.60
▸ SI P14410 15/20 0.60
▸ MGAM2 Q2M2H8 15/20 0.60
▸ NPC1 O15118 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ PTGES O14684 1/20 0.52
▸ ESR1 P03372 1/20 0.49
▸ CBFB Q13951 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46

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
SCHEMBL22599893 0.84 MGAM (0.50) MGAMGAASIMGAM2ESR1
SCHEMBL8816910 0.81 MGAM (0.60) MGAMGAASIMGAM2NPC1
SCHEMBL29056520 0.81 MGAM (0.68) MGAMGAASIMGAM2NPC1
SCHEMBL29056738 0.81 MGAM (0.68) MGAMGAASIMGAM2NPC1
SCHEMBL5938 0.77 DHODH (0.56) MGAMGAASIMGAM2NPC1
SCHEMBL29967798 0.77 DHODH (0.56) MGAMGAASIMGAM2NPC1
SCHEMBL29411925 0.76 PARP1 (0.72) —
SCHEMBL11199113 0.75 MGAM (1.00) MGAMGAASIMGAM2ESR1
SCHEMBL6511307 0.75 MGAM (1.00) MGAMGAASIMGAM2NPC1
SCHEMBL6511197 0.75 MGAM (1.00) MGAMGAASIMGAM2NPC1

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-116635028-A Modulators of c-MYC mRNA translation and their use in the treatment of cancer 艾尼莫生物科技公司 2023-08-22 — — CN disclosed
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