SCHEMBL31318577

SCHEMBL31318577

O=C(c1cc(Cl)c(O)c([N+](=O)[O-])c1)N1CC2(CC2)Oc2ccc(F)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 5/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
GPR35 Q9HC97 2/20 0.34
SLC22A12 Q96S37 3/20 0.34
CYP2C9 P11712 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ALDH1A1 P00352 4/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
VCAM1 P19320 1/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
NOD2 Q9HC29 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
THRB P10828 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
SCHEMBL31318513 0.87 MEN1 (0.42) KMT2AMEN1GPR35SLC22A12CYP2C9
SCHEMBL31318564 0.87 ALDH1A1 (0.35) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL31318532 0.84 SLC22A12 (0.42) KMT2AMEN1GPR35SLC22A12CYP2C9
SCHEMBL31318498 0.83 SLC22A12 (0.44) TTRKMT2AMEN1GPR35SLC22A12
SCHEMBL31318492 0.79 MEN1 (0.40) KMT2AMEN1GPR35SLC22A12CYP2C9
SCHEMBL31318547 0.76 SLC22A12 (0.39) SLC22A12CYP2C9ABCG2MAPTTP53
SCHEMBL31318539 0.75 SLC22A12 (0.50) SLC22A12CYP2C9ABCG2
SCHEMBL31318548 0.75 ALDH1A1 (0.40) KMT2AMEN1SLC22A12ALDH1A1L3MBTL1
SCHEMBL31318515 0.72 SLC22A12 (0.44) SLC22A12CYP2C9ABCG2
SCHEMBL31318506 0.72 SLC22A12 (0.48) SLC22A12CYP2C9ABCG2

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