SCHEMBL29505151

SCHEMBL29505151

O=S(=O)(c1ccc(Cl)cc1)N1CCC(c2cncc(O)c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.69
LMNA P02545 2/20 0.52
USP5 P45974 3/20 0.50
CNR1 P21554 1/20 0.50
HDAC6 Q9UBN7 1/20 0.48
USP3 Q9Y6I4 1/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL29505212 0.87 LMNA (0.51) TP53LMNAUSP5HDAC6NPSR1
SCHEMBL29505176 0.81 TP53 (0.44) TP53LMNAPKMALDH1A1MEN1
SCHEMBL29505338 0.77 EGLN1 (0.56) LMNAMEN1KMT2A
SCHEMBL5915276 0.76 TP53 (0.74) TP53LMNAUSP5HDAC6PKM
SCHEMBL29505107 0.76 MEN1 (0.58) ALDH1A1MEN1KMT2A
SCHEMBL6949494 0.74 TP53 (0.77) TP53LMNAUSP5CNR1NPSR1
SCHEMBL29505198 0.74 LMNA (0.56) TP53LMNAALDH1A1NPSR1MEN1
SCHEMBL29505193 0.74 GRM5 (0.54) ALDH1A1MEN1KMT2A
SCHEMBL5249802 0.72 LMNA (0.71) TP53LMNACNR1PKMALDH1A1
SCHEMBL29505112 0.72 ROCK2 (0.46) CYP3A4

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-114315794-A 5-aliphatic heterocyclic group-3-hydroxypyridine-2-formyl glycine compound, preparation method, pharmaceutical composition and application 中国药科大学 2022-04-12 CN disclosed