SCHEMBL24838865

SCHEMBL24838865

COC(=O)c1csc(CC(C)C)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 9/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
HSP90AA1 P07900 1/20 0.43
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
HRH3 Q9Y5N1 2/20 0.39
LMNA P02545 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
GAA P10253 2/20 0.39
ALOX12 P18054 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
DPP4 P27487 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37

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
SCHEMBL6609660 0.84 MAOA (0.42) MAOAACHEMAPTNPC1RAB9A
SCHEMBL2138607 0.84 RAB9A (0.61) MAPTNPC1RAB9AHSP90AA1KMT2A
SCHEMBL27830228 0.83 DPP4 (0.40) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL14039608 0.81 MAPT (0.49) MAOAACHEMAPTNPC1RAB9A
SCHEMBL2115643 0.81 MAOA (0.47) MAOAACHEMAPTNPC1RAB9A
SCHEMBL26724893 0.81 MAPT (0.49) MAPTNPC1RAB9AHRH3DPP4
SCHEMBL1246613 0.81 DPP4 (0.50) ACHEALDH1A1DPP4KDM4E
SCHEMBL2553566 0.81 POLB (0.43) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL2172311 0.80 MAOA (0.46) MAOAACHEMAPTNPC1RAB9A
SCHEMBL25256716 0.80 MAOA (0.49) 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
EP-4249492-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND ANTIBIOTIC COMPOSITION COMPRISING SAME A&J Science Co.,Ltd. (KR) 2023-09-27 EP disclosed
WO-2023277485-A1 METHOD FOR PREPARING MICROCOCCIN-BASED CARBOXYLIC ACID COMPOUND AND MICROCOCCIN-BASED CARBOXYLIC ACID COMPOUND PREPARED THEREBY 주식회사 에이엔제이사이언스 2023-01-05 WO disclosed