SCHEMBL10820879

SCHEMBL10820879

O=S(=O)(Sc1nsc2ccccc12)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ EPAS1 Q99814 5/20 0.39
▸ HTR6 P50406 3/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.34
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ HSD11B1 P28845 1/20 0.31
▸ PKM P14618 1/20 0.31

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
SCHEMBL11600529 0.73 MAPT (0.54) ALDH1A1HSD17B10KDM4EMAPTEPAS1
SCHEMBL18485267 0.70 MAPT (0.50) ALDH1A1HSD17B10KDM4EMAPTEPAS1
SCHEMBL6691525 0.70 MAPT (0.55) ALDH1A1HSD17B10KDM4EMAPTEPAS1
SCHEMBL3453639 0.68 EPAS1 (0.42) ALDH1A1HSD17B10KDM4EMAPTEPAS1
SCHEMBL9731178 0.66 MAPT (0.46) ALDH1A1HSD17B10KDM4EMAPTEPAS1
SCHEMBL18193688 0.66 MAPT (0.46) ALDH1A1HSD17B10KDM4EMAPTEPAS1
SCHEMBL14805661 0.66 MAPT (0.46) ALDH1A1HSD17B10KDM4EMAPTEPAS1
SCHEMBL3453468 0.66 EPAS1 (0.41) ALDH1A1HSD17B10KDM4EMAPTEPAS1
SCHEMBL10820880 0.66 ALDH1A1 (0.39) ALDH1A1HSD17B10KDM4EMAPTEPAS1
SCHEMBL2954045 0.66 MAPT (0.42) ALDH1A1HSD17B10KDM4EMAPTEPAS1

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
US-4609438-A ELECTROLYTIC, FROM A 2-MERCAPTOBENZOTHIAZOLE AND A BENZENESULFINATE OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1986-09-02 — — US disclosed
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