SCHEMBL31318548

SCHEMBL31318548

COc1c(Cl)cc(C(=O)N2CC3(CC3)Oc3ccccc32)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 2/20 0.40
HSP90AA1 P07900 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIRT3 Q9NTG7 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
ATM Q13315 1/20 0.35
MGLL Q99685 1/20 0.35
TPMT P51580 1/20 0.35
MAPT P10636 6/20 0.35
HPGD P15428 3/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 2/20 0.35
RAF1 P04049 1/20 0.35
GFER P55789 1/20 0.35
PAX8 Q06710 1/20 0.35
TDP1 Q9NUW8 2/20 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
SCHEMBL31318517 0.89 SIRT3 (0.41) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL31318564 0.88 ALDH1A1 (0.35) ALDH1A1KMT2AMEN1GAAHSP90AA1
SCHEMBL31318525 0.88 TUBB4A (0.38) ALDH1A1KMT2AMEN1GAAHSP90AA1
SCHEMBL31318528 0.88 SLC22A6 (0.36) ALDH1A1KMT2AMEN1GAAHSP90AA1
SCHEMBL31318513 0.87 MEN1 (0.42) ALDH1A1KMT2AMEN1GAAHSP90AA1
SCHEMBL31318550 0.86 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1GAAHSP90AA1
SCHEMBL31318560 0.79 SIRT3 (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2SIRT3
SCHEMBL31318493 0.79 LMNA (0.42) ALDH1A1SMN1; SMN2SIRT3LMNA
SCHEMBL31318544 0.79 SIRT3 (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2SIRT3
SCHEMBL31318539 0.79 SLC22A12 (0.50) SIRT3SLC22A12

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