SCHEMBL31318521

SCHEMBL31318521

N#Cc1cc(C(=O)N2CC3(CC3)Oc3ccccc32)cc(Br)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 13/20 0.50
CYP2C9 P11712 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
POLB P06746 2/20 0.33
NR3C2 P08235 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NSD2 O96028 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32

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
SCHEMBL31318523 0.89 SLC22A12 (0.44) SLC22A12CYP2C9SLC22A6SLC22A8POLB
SCHEMBL31318555 0.88 SLC22A12 (0.59) SLC22A12CYP2C9POLBKMT2ASIRT2
SCHEMBL31318496 0.81 NR3C2 (0.40) SLC22A12POLBNR3C2KDM4EMEN1
SCHEMBL31318493 0.79 LMNA (0.42) POLBKDM4EALDH1A1
SCHEMBL31318518 0.79 SLC22A12 (0.43) SLC22A12CYP2C9KMT2A
SCHEMBL31318516 0.78 SLC22A12 (0.43) SLC22A12CYP2C9POLBNR3C2ALDH1A1
SCHEMBL31318504 0.78 SLC22A12 (0.42) SLC22A12CYP2C9POLBNR3C2ALDH1A1
SCHEMBL31318539 0.78 SLC22A12 (0.50) SLC22A12CYP2C9SLC22A6POLBSIRT1
SCHEMBL31318494 0.75 KMT2A (0.48) POLBKDM4EMEN1ALDH1A1GAA
SCHEMBL31318543 0.74 SLC22A12 (0.65) 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