SCHEMBL31318550

SCHEMBL31318550

COc1c(Cl)cc(C(=O)N2CC3(CC3)Oc3ncccc32)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
GAA P10253 2/20 0.38
HSP90AA1 P07900 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 5/20 0.35
MAPT P10636 5/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALOX12 P18054 1/20 0.35
CCR6 P51684 1/20 0.35
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
RAF1 P04049 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
GFER P55789 1/20 0.33

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
SCHEMBL31318520 0.90 MEN1 (0.36) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL31318492 0.88 MEN1 (0.40) ALDH1A1L3MBTL1GAAHSP90AA1SMN1; SMN2
SCHEMBL31318548 0.86 ALDH1A1 (0.40) ALDH1A1L3MBTL1GAAHSP90AA1SMN1; SMN2
SCHEMBL31318528 0.83 SLC22A6 (0.36) ALDH1A1L3MBTL1GAAHSP90AA1SMN1; SMN2
SCHEMBL31318570 0.81 PDE4B (0.39) ALDH1A1L3MBTL1SMN1; SMN2LMNAMAPT
SCHEMBL31318545 0.81 TUBB4A (0.39) ALDH1A1LMNAMAPTKDM4ESLC22A12
SCHEMBL31318542 0.80 SLC22A12 (0.44) SLC22A12
SCHEMBL31318564 0.80 ALDH1A1 (0.35) ALDH1A1L3MBTL1GAAHSP90AA1SMN1; SMN2
SCHEMBL31318525 0.80 TUBB4A (0.38) ALDH1A1L3MBTL1GAAHSP90AA1SMN1; SMN2
SCHEMBL31318517 0.74 SIRT3 (0.41) ALDH1A1L3MBTL1GAAKMT2AMEN1

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