SCHEMBL30527355

SCHEMBL30527355

CCOC(=O)C(C(=O)OCC)c1nc(Br)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ GRM5 P41594 1/20 0.38
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ABCB1 P08183 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL2654651 0.80 MAPT (0.43) MAPTNPC1RAB9APOLBPKM
SCHEMBL29053898 0.80 ALDH1A1 (0.36) MAPTNPC1RAB9APOLBPKM
SCHEMBL25776846 0.80 ALDH1A1 (0.36) MAPTNPC1RAB9APOLBPKM
SCHEMBL25776902 0.75 NPC1 (0.33) MAPTNPC1RAB9APOLBPKM
SCHEMBL1476131 0.75 MAPT (0.47) MAPTNPC1RAB9APOLBPKM
SCHEMBL25298581 0.74 FFAR1 (0.39) —
SCHEMBL25797289 0.74 MAPT (0.38) MAPTNPC1RAB9APOLBPKM
SCHEMBL23296732 0.74 GRM5 (0.42) MAPTNPC1RAB9APOLBPKM
SCHEMBL15507658 0.74 — —
SCHEMBL30499786 0.73 MEN1 (0.34) MAPTNPC1RAB9APOLBPKM

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
WO-2023134765-A1 FIVE-MEMBERED-RING-CONTAINING DERIVATIVES, PREPARATION METHOD THEREFOR, AND USES THEREOF 上海翰森生物医药科技有限公司 2023-07-20 — — WO disclosed
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