SCHEMBL31318534

SCHEMBL31318534

O=C(c1cc(F)c(O)c(F)c1)N1CC2(CC2)[S+]([O-])c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 8/20 0.42
CYP2C9 P11712 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
GRIN2B Q13224 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NOTUM Q6P988 1/20 0.31
BRD4 O60885 1/20 0.31
AKR1B1 P15121 1/20 0.30

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
SCHEMBL31318531 0.87 LMNA (0.38) SLC22A12ALDH1A1LMNAMEN1KMT2A
SCHEMBL31318497 0.86 SLC22A12 (0.40) SLC22A12CYP2C9ABCG2GAAALDH1A1
SCHEMBL31318561 0.86 SLC22A12 (0.48) SLC22A12CYP2C9ABCG2MEN1KMT2A
SCHEMBL31318549 0.78 SLC22A12 (0.39) SLC22A12CYP2C9ABCG2GAAHTT
SCHEMBL31318565 0.78 LMNA (0.40) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL31318516 0.74 SLC22A12 (0.43) SLC22A12CYP2C9ABCG2GAAHTT
SCHEMBL4900194 0.67 POLB (0.62) SLC22A12GPBAR1LMNANOTUM
SCHEMBL31318524 0.66 SLC22A12 (0.38) SLC22A12CYP2C9GPBAR1ALDH1A1MAPK1
SCHEMBL10322736 0.65 SLC22A12 (0.84) SLC22A12CYP2C9ABCG2GAAHTT
SCHEMBL31318563 0.64 SLC22A12 (0.39) SLC22A12GAAHTTALDH1A1LMNA

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