SCHEMBL29047693

SCHEMBL29047693

BrC=Cc1cccc(Br)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.42
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HSP90AA1 P07900 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 3/20 0.33
IKBKB O14920 1/20 0.33
DYRK2 Q92630 1/20 0.33
BCHE P06276 1/20 0.33
LY96 Q9Y6Y9 1/20 0.33
GAA P10253 1/20 0.32
NFE2L2 Q16236 2/20 0.32
RELA Q04206 1/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 2/20 0.31
MAOB P27338 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL1812179 0.82 HSD11B1 (0.58) HSD11B1MEN1KMT2AHSP90AA1NPC1
SCHEMBL38650618 0.82 HSD11B1 (0.58) HSD11B1MEN1KMT2AHSP90AA1NPC1
SCHEMBL4951414 0.80 NFE2L2 (0.50) HSD11B1MEN1KMT2ANFE2L2MAOB
SCHEMBL297693 0.80 NFE2L2 (0.50) HSD11B1MEN1KMT2ANFE2L2MAOB
SCHEMBL11209913 0.76 NFE2L2 (0.43) HSD11B1MEN1KMT2AALDH1A1NFE2L2
SCHEMBL11813801 0.76 CDK4 (0.48) HSD11B1MEN1KMT2AALDH1A1IKBKB
SCHEMBL16933968 0.76 HSD11B1 (0.34) HSD11B1LY96
SCHEMBL16933971 0.76 HSD11B1 (0.34) HSD11B1LY96
SCHEMBL9015162 0.74 ENPP2 (0.36) HSD11B1
SCHEMBL16957607 0.73 HSD11B1 (0.39) HSD11B1MEN1KMT2AHSP90AA1NPC1

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-116535552-A Synthesis method of low molecular weight polystyrene 清华大学 2023-08-04 CN disclosed