SCHEMBL29065013

SCHEMBL29065013

COC(=O)c1csc(C(C)(C)CO)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
MAPT P10636 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.36
HSP90AA1 P07900 1/20 0.34
CRBN Q96SW2 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL24035931 0.86 MAOA (0.42) MAOAACHEMAPTNPC1RAB9A
SCHEMBL13999812 0.85 RAB9A (0.56) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL1691535 0.83 MAOA (0.47) MAOAACHEMAPTNPC1RAB9A
SCHEMBL13999768 0.82 L3MBTL1 (0.44) ACHEALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL24036136 0.81 MAOA (0.44) MAOAACHEMAPTNPC1RAB9A
SCHEMBL15156713 0.79 MAOA (0.46) MAOAACHEMAPTNPC1RAB9A
SCHEMBL2079452 0.74 RAB9A (0.54) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL2115643 0.73 MAOA (0.47) MAOAACHEMAPTNPC1RAB9A
SCHEMBL29598578 0.73 MAOA (0.47) MAOAACHEMAPTNPC1RAB9A
SCHEMBL14656020 0.72 ACHE (0.64) MAOAACHEMAPTNPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116710430-A Methods and compounds for restoring mutant p53 function 皮姆维制药公司 2023-09-05 CN disclosed
EP-4149459-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2023-03-22 EP disclosed