SCHEMBL28999775

SCHEMBL28999775

CN(C)C(=S)OCc1ccc(Cl)nc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 3/20 0.45
NPC1 O15118 2/20 0.45
DGAT1 O75907 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 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
SCHEMBL30427603 1.00 RAB9A (0.45) RAB9AALDH1A1POLBNPC1DGAT1
SCHEMBL2134732 0.79 ALDH1A1 (0.57) RAB9AALDH1A1POLBNPC1DGAT1
SCHEMBL11837764 0.78 IDO1 (0.44) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL22717358 0.78 RAB9A (0.45) RAB9AALDH1A1POLBNPC1DGAT1
SCHEMBL29574285 0.78 RAB9A (0.45) RAB9AALDH1A1POLBNPC1DGAT1
SCHEMBL10174988 0.73 RAB9A (0.56) RAB9AALDH1A1POLBNPC1DGAT1
SCHEMBL10691581 0.72 ALDH1A1 (0.51) RAB9AALDH1A1POLBNPC1MAPT
SCHEMBL1145938 0.72 ALDH1A1 (0.54) RAB9AALDH1A1POLBNPC1MAPT
SCHEMBL27925887 0.72 ALDH1A1 (0.53) RAB9AALDH1A1POLBNPC1DGAT1
SCHEMBL7665723 0.72 KDM4E (0.47) ALDH1A1MAPTL3MBTL1KDM4EGAA

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-116082223-A Carbamate compound and preparation method and application thereof 北京亦农生物科技有限公司 2023-05-09 CN disclosed