SCHEMBL31318528

SCHEMBL31318528

COc1c(Cl)cc(C(=O)N2CC3(CC3)Oc3ccncc32)cc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
KMT2A Q03164 6/20 0.35
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 1/20 0.33
RAF1 P04049 1/20 0.33
HPGD P15428 1/20 0.33
GFER P55789 1/20 0.33
PAX8 Q06710 1/20 0.33
TPMT P51580 1/20 0.33
MEN1 O00255 4/20 0.33
HSP90AA1 P07900 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 2/20 0.32
AGTR1 P30556 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
SCHEMBL31318501 0.90 SLC22A12 (0.41) SLC22A6SLC22A8SLC22A12KMT2AALDH1A1
SCHEMBL31318548 0.88 ALDH1A1 (0.40) SLC22A12KMT2AALDH1A1MAPTMAPK1
SCHEMBL31318532 0.88 SLC22A12 (0.42) SLC22A6SLC22A8SLC22A12KMT2AALDH1A1
SCHEMBL31318535 0.86 SLC22A12 (0.38) SLC22A6SLC22A8SLC22A12KMT2AMEN1
SCHEMBL31318541 0.86 SLC22A12 (0.46) SLC22A6SLC22A8SLC22A12KMT2ALMNA
SCHEMBL31318564 0.85 ALDH1A1 (0.35) KMT2AALDH1A1MAPTMAPK1LMNA
SCHEMBL31318525 0.83 TUBB4A (0.38) SLC22A12KMT2AALDH1A1MAPTMAPK1
SCHEMBL1190694 0.83 SLC22A12 (0.55) SLC22A6SLC22A8SLC22A12KMT2AALDH1A1
SCHEMBL31318550 0.83 ALDH1A1 (0.38) SLC22A12KMT2AALDH1A1MAPTMAPK1
SCHEMBL31318558 0.81 SLC22A6 (0.41) SLC22A6SLC22A8SLC22A12LMNAGFER

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