SCHEMBL24439627

SCHEMBL24439627

CN(C(=O)OCc1cc(Cl)sc1-c1ccc(O)cc1)C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 3/20 0.36
SLCO1B1 Q9Y6L6 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
S1PR1 P21453 1/20 0.34
ENPP2 Q13822 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
PKM P14618 1/20 0.34
CNR1 P21554 1/20 0.33
MAPT P10636 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
SCHEMBL24439608 0.83 NPC1 (0.43) MEN1KMT2ARAB9AALDH1A1SLCO1B1
SCHEMBL24439407 0.82 SLCO1B1 (0.59) MEN1KMT2ARAB9ASLCO1B1NPC1
SCHEMBL24439348 0.82 SLCO1B1 (0.36) MEN1KMT2ARAB9AALDH1A1SLCO1B1
SCHEMBL24439624 0.81 SLCO1B1 (0.50) MEN1KMT2ARAB9ASLCO1B1NPC1
SCHEMBL29672297 0.77 SLCO1B1 (0.48) SLCO1B1NPC1NPSR1LMNA
SCHEMBL29672263 0.77 SLCO1B1 (0.48) SLCO1B1NPC1NPSR1LMNA
SCHEMBL24439344 0.77 SLCO1B1 (0.48) SLCO1B1NPC1NPSR1LMNA
SCHEMBL24439720 0.76 SLCO1B1 (0.40) SLCO1B1NPC1NPSR1LMNA
SCHEMBL29517757 0.76 SLCO1B1 (0.40) SLCO1B1NPC1NPSR1LMNA
SCHEMBL22256655 0.76 SLCO1B1 (0.40) MEN1KMT2ARAB9ASLCO1B1KDM4E

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
WO-2022100624-A1 OXY-SUBSTITUTED AMINOCARBONATE THIOPHENE-BASED COMPOUND AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-05-19 WO disclosed
WO-2022100624-A1 OXY-SUBSTITUTED AMINOCARBONATE THIOPHENE-BASED COMPOUND AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-05-19 WO disclosed
CN-114456147-A Oxygen substituted amino carbonate thiophene compounds 武汉人福创新药物研发中心有限公司 2022-05-10 CN disclosed