SCHEMBL31318512

SCHEMBL31318512

O=C(c1cc(Br)c(O)c(Br)c1)N1CC2(CC2)Oc2ncccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 8/20 0.44
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
KDM4E B2RXH2 3/20 0.33
SPR P35270 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
NSD2 O96028 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 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
L3MBTL1 Q9Y468 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 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
SCHEMBL31318545 0.87 TUBB4A (0.39) SLC22A12SLC22A6SLC22A8KDM4EALDH1A1
SCHEMBL31318542 0.87 SLC22A12 (0.44) SLC22A12SLC22A6TP53
SCHEMBL31318524 0.87 SLC22A12 (0.38) SLC22A12SPRALDH1A1HPGDUSP2
SCHEMBL31318523 0.81 SLC22A12 (0.44) SLC22A12SLC22A6SLC22A8KDM4EMEN1
SCHEMBL1191311 0.79 SLC22A12 (0.61) SLC22A12SLC22A6SLC22A8KDM4EMEN1
SCHEMBL31318492 0.79 MEN1 (0.40) SLC22A12SLC22A6KDM4EMEN1KMT2A
SCHEMBL31318570 0.79 PDE4B (0.39) ALDH1A1MAPTL3MBTL1TP53SMN1; SMN2
SCHEMBL31318520 0.79 MEN1 (0.36) SLC22A12KDM4EMEN1KMT2AALDH1A1
SCHEMBL31318543 0.78 SLC22A12 (0.65) SLC22A12SLC22A6SLC22A8MEN1KMT2A
SCHEMBL31318508 0.74 SLC22A12 (0.40) SLC22A12SLC22A6SLC22A8MEN1KMT2A

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