SCHEMBL31318523

SCHEMBL31318523

O=C(c1cc(Br)c(O)c(Br)c1)N1CC2(CC2)Oc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 8/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
POLB P06746 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NSD2 O96028 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NR3C2 P08235 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL31318521 0.89 SLC22A12 (0.50) SLC22A12SLC22A6SLC22A8POLBMEN1
SCHEMBL31318496 0.88 NR3C2 (0.40) SLC22A12POLBMEN1KMT2AALDH1A1
SCHEMBL31318493 0.86 LMNA (0.42) POLBALDH1A1KDM4ERAB9ASIRT3
SCHEMBL31318504 0.85 SLC22A12 (0.42) SLC22A12POLBKMT2AALDH1A1NR3C2
SCHEMBL31318539 0.85 SLC22A12 (0.50) SLC22A12SLC22A6POLBCYP2C9ABCG2
SCHEMBL31318516 0.85 SLC22A12 (0.43) SLC22A12POLBKMT2AALDH1A1GAA
SCHEMBL31318543 0.84 SLC22A12 (0.65) SLC22A12SLC22A6SLC22A8POLBMEN1
SCHEMBL31318508 0.82 SLC22A12 (0.40) SLC22A12SLC22A6SLC22A8MEN1KMT2A
SCHEMBL31318494 0.82 KMT2A (0.48) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL31318512 0.81 SLC22A12 (0.44) SLC22A12SLC22A6SLC22A8POLBMEN1

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-119059989-A URAT1 inhibitor, preparation method and application thereof 中国药科大学 2024-12-03 CN disclosed