SCHEMBL31318513

SCHEMBL31318513

O=C(c1cc(Cl)c(O)c([N+](=O)[O-])c1)N1CC2(CC2)Oc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SLC22A12 Q96S37 7/20 0.40
CYP2C9 P11712 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSP90AA1 P07900 1/20 0.38
GAA P10253 1/20 0.38
GPR35 Q9HC97 1/20 0.36
DUSP3 P51452 1/20 0.36
MAPT P10636 2/20 0.36
VCAM1 P19320 1/20 0.35
POLB P06746 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL31318539 0.88 SLC22A12 (0.50) SLC22A12CYP2C9ABCG2POLB
SCHEMBL31318577 0.87 TTR (0.36) MEN1KMT2ASLC22A12CYP2C9ABCG2
SCHEMBL31318498 0.87 SLC22A12 (0.44) MEN1KMT2ASLC22A12CYP2C9ABCG2
SCHEMBL31318548 0.87 ALDH1A1 (0.40) MEN1KMT2ASLC22A12SMN1; SMN2L3MBTL1
SCHEMBL31318532 0.87 SLC22A12 (0.42) MEN1KMT2ASLC22A12CYP2C9ABCG2
SCHEMBL31318492 0.85 MEN1 (0.40) MEN1KMT2ASLC22A12CYP2C9ABCG2
SCHEMBL4902036 0.81 POLB (0.58) MEN1KMT2ASLC22A12CYP2C9ABCG2
SCHEMBL31318517 0.78 SIRT3 (0.41) MEN1KMT2ASLC22A12CYP2C9ABCG2
SCHEMBL31318504 0.77 SLC22A12 (0.42) KMT2ASLC22A12CYP2C9ABCG2ALDH1A1
SCHEMBL31318516 0.77 SLC22A12 (0.43) KMT2ASLC22A12CYP2C9ABCG2ALDH1A1

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