SCHEMBL30956063

SCHEMBL30956063

Clc1cccc(SCc2coc3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.49
▸ TDP1 Q9NUW8 2/20 0.41
▸ ALPG P10696 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ DHFR P00374 1/20 0.38
▸ DRD2 P14416 3/20 0.38
▸ DRD4 P21917 3/20 0.38
▸ DRD3 P35462 3/20 0.38
▸ CA2 P00918 1/20 0.38
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ IL4I1 Q96RQ9 1/20 0.36
▸ HSD17B3 P37058 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HTR1A P08908 1/20 0.36

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
SCHEMBL30956099 0.80 PSMB5 (0.46) MAOBMAPTDHFRMEN1KMT2A
SCHEMBL30956089 0.75 CYP11B1 (0.51) MAOBMAPTDRD2DRD4DRD3
SCHEMBL30956083 0.72 MAOB (0.80) MAOBMAPTGAADHFRCA2
SCHEMBL30956091 0.72 CYP1A2 (0.43) MAOBMAPTDHFRCA2IL4I1
SCHEMBL30956072 0.71 ALDH1A1 (0.41) MAOBL3MBTL1DRD2DRD4DRD3
SCHEMBL30956086 0.71 MAOB (0.54) MAOBTDP1MAPTCA2ALDH1A1
SCHEMBL28101221 0.70 MAOB (0.50) MAOBTDP1ALPGL3MBTL1MAPT
SCHEMBL11613293 0.69 EGFR (0.54) MAOB
SCHEMBL30956070 0.69 PKM (0.42) MAOBTDP1L3MBTL1MAPTDRD2
SCHEMBL30956066 0.69 MAOB (0.41) MAOBDRD2DRD4DRD3CA2

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-118005692-A Preparation of benzofuran derivative by initiating free radical reaction by superelectron donor with heteroatom as center and application 贵州大学 2024-05-10 — — CN disclosed
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