SCHEMBL31318532

SCHEMBL31318532

O=C(c1cc(Cl)c(O)c([N+](=O)[O-])c1)N1CC2(CC2)Oc2ccncc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 5/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
DUSP3 P51452 1/20 0.34
GPR35 Q9HC97 1/20 0.34
ALDH1A1 P00352 4/20 0.33
CYP2C9 P11712 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
MAPT P10636 4/20 0.32
AGTR1 P30556 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
KDM4E B2RXH2 2/20 0.31
PKM P14618 2/20 0.31
HTT P42858 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
LMNA P02545 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSP90AA1 P07900 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
SCHEMBL31318506 0.89 SLC22A12 (0.48) SLC22A12SLC22A6SLC22A8CYP2C9ABCG2
SCHEMBL31318528 0.88 SLC22A6 (0.36) SLC22A12SLC22A6SLC22A8MEN1KMT2A
SCHEMBL31318513 0.87 MEN1 (0.42) SLC22A12MEN1KMT2ADUSP3GPR35
SCHEMBL31318529 0.85 SLC22A12 (0.57) SLC22A12SLC22A6SLC22A8CYP2C9ABCG2
SCHEMBL31318515 0.85 SLC22A12 (0.44) SLC22A12SLC22A6SLC22A8CYP2C9ABCG2
SCHEMBL31318577 0.84 TTR (0.36) SLC22A12MEN1KMT2AGPR35ALDH1A1
SCHEMBL31318498 0.82 SLC22A12 (0.44) SLC22A12MEN1KMT2ADUSP3GPR35
SCHEMBL1191517 0.82 SLC22A12 (0.64) SLC22A12SLC22A6SLC22A8MEN1KMT2A
SCHEMBL31318492 0.81 MEN1 (0.40) SLC22A12SLC22A6MEN1KMT2AGPR35
SCHEMBL31318557 0.79 SLC22A12 (0.48) SLC22A12SLC22A6SLC22A8SMN1; SMN2

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