SCHEMBL29056629

SCHEMBL29056629

Clc1ccc(-c2nc3c(Br)cccc3[nH]2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.68
MGAM O43451 5/20 0.68
SI P14410 5/20 0.68
MGAM2 Q2M2H8 5/20 0.68
PARP1 P09874 7/20 0.59
TNKS O95271 3/20 0.47
TNKS2 Q9H2K2 3/20 0.47
PARP2 Q9UGN5 2/20 0.47
DHODH Q02127 2/20 0.46
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
PKM P14618 1/20 0.45
MEN1 O00255 3/20 0.44
TP53 P04637 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44

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
SCHEMBL29967798 0.85 DHODH (0.56) GAAMGAMSIMGAM2PARP1
SCHEMBL5938 0.85 DHODH (0.56) GAAMGAMSIMGAM2PARP1
SCHEMBL29056753 0.84 GAA (0.69) GAAMGAMSIMGAM2PARP1
SCHEMBL29056620 0.83 MGAM (0.51) GAAMGAMSIMGAM2PARP1
SCHEMBL8818559 0.82 GAA (0.69) GAAMGAMSIMGAM2PARP1
SCHEMBL29056651 0.80 MGAM (0.48) GAAMGAMSIMGAM2PARP1
SCHEMBL3286051 0.80 HDAC6 (0.60) GAAMGAMSIMGAM2PARP1
SCHEMBL29056720 0.80 PARP1 (0.62) GAAMGAMSIMGAM2PARP1
SCHEMBL9694398 0.79 KDM4E (0.55) GAAMGAMSIMGAM2PARP1
SCHEMBL8818775 0.78 GAA (0.64) GAAMGAMSIMGAM2PARP1

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