SCHEMBL30368482

SCHEMBL30368482

O=C1c2ccccc2C(=O)N1c1cccc(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.61
NR1H3 Q13133 2/20 0.57
SCN2A Q99250 1/20 0.56
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
GRM5 P41594 1/20 0.51
ESR1 P03372 3/20 0.50
ESR2 Q92731 1/20 0.50
NR1H2 P55055 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
HSPA1A P0DMV8 1/20 0.47
PABPC1 P11940 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL7547818 1.00 MGLL (0.61) MGLLNR1H3SCN2AMEN1KMT2A
SCHEMBL29841157 1.00 MGLL (0.61) MGLLNR1H3SCN2AMEN1KMT2A
SCHEMBL725608 0.86 NR1H3 (0.67) MGLLNR1H3SCN2AMEN1KMT2A
SCHEMBL19317166 0.84 MEN1 (0.52) NR1H3SCN2AMEN1KMT2AESR1
SCHEMBL9453237 0.83 KDM4E (0.52) MGLLMEN1KMT2AESR1ESR2
SCHEMBL9453234 0.83 MGLL (0.51) MGLLNR1H3SCN2AMEN1KMT2A
SCHEMBL8588168 0.80 ESR1 (0.54) NR1H3SCN2AMEN1KMT2AGRM5
SCHEMBL29644720 0.80 MGLL (0.56) MGLLNR1H3MEN1KMT2ANR1H2
SCHEMBL29644719 0.80 MGLL (0.56) MGLLNR1H3MEN1KMT2ANR1H2
SCHEMBL19707567 0.80 MGLL (0.66) MGLLMEN1KMT2AATML3MBTL1

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-115996755-A Bifunctional molecules and methods of use thereof 旗舰创业创新VI有限责任公司 2023-04-21 CN disclosed