SCHEMBL13768804

SCHEMBL13768804

O=C(O)c1csc2c1COCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.39
ALDH1A1 P00352 6/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
PTPRC P08575 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPRB P23467 1/20 0.36
PTPRE P23469 1/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 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
SCHEMBL5837033 0.86 PTPRC (0.42) HPGDALDH1A1L3MBTL1HTTPTPRC
SCHEMBL13768422 0.77 MAPT (0.46) HPGDALDH1A1L3MBTL1HTTMEN1
SCHEMBL22775116 0.74 HPGD (0.56) HPGDALDH1A1L3MBTL1HTTMEN1
SCHEMBL1121822 0.74 HPGD (0.60) HPGDALDH1A1L3MBTL1HTTMEN1
SCHEMBL29503118 0.73 HPGD (0.63) HPGDALDH1A1L3MBTL1HTTMEN1
SCHEMBL3647943 0.71 CFTR (0.40) HPGDALDH1A1L3MBTL1HTTPTPRC
SCHEMBL18723612 0.71 WNT3A (0.32) HPGDALDH1A1
SCHEMBL21962471 0.71 WNT3A (0.31)
SCHEMBL18723628 0.70 HPGD (0.31) HPGDSMN1; SMN2
SCHEMBL3715448 0.69 PTPRC (0.42) HPGDALDH1A1L3MBTL1HTTPTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114222574-B Inhibition of USP36 瓦洛健康股份有限公司 2024-12-17 CN disclosed
CN-114222574-A Inhibition of USP36 瓦洛健康股份有限公司 2022-03-22 CN disclosed
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed