SCHEMBL28571786

SCHEMBL28571786

S=C(Nc1ccccc1Br)c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ CASP3 P42574 1/20 0.53
▸ SENP8 Q96LD8 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.53
▸ SENP6 Q9GZR1 1/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ LMNA P02545 2/20 0.49
▸ HDAC1 Q13547 1/20 0.42
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ APLNR P35414 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ DAO P14920 1/20 0.40

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
SCHEMBL28573260 0.80 MAPT (0.63) KMT2AMEN1MAPTHTTGAA
SCHEMBL17295043 0.76 APLNR (0.69) KMT2AMEN1MAPTHTTGAA
SCHEMBL4741225 0.74 ALDH1A1 (0.57) KMT2AMEN1MAPTGAAL3MBTL1
SCHEMBL3074293 0.74 — —
SCHEMBL28176245 0.73 L3MBTL1 (0.60) KMT2AMEN1HTTL3MBTL1LMNA
SCHEMBL28600570 0.72 L3MBTL1 (0.64) KMT2AMEN1MAPTHTTGAA
SCHEMBL31388330 0.72 L3MBTL1 (0.69) KMT2AMEN1MAPTHTTL3MBTL1
SCHEMBL9454012 0.72 L3MBTL1 (0.69) KMT2AMEN1MAPTHTTL3MBTL1
SCHEMBL28569924 0.71 PKM (0.55) KMT2AMEN1HTTGAAL3MBTL1
SCHEMBL28575497 0.70 L3MBTL1 (0.56) KMT2AMEN1MAPTHTTL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022178693-A1 METHOD FOR PREPARING BENZOTHIAZOLE COMPOUND BY USING N-(2-BROMOPHENYL)THIOAMIDE UNDER PROMOTION OF VISIBLE LIGHT 苏州大学 2022-09-01 — — WO disclosed
CN-112979581-B Method for preparing benzothiazole compound from N- (2-bromophenyl) thioamide promoted by visible light 苏州大学 2022-02-25 — — CN disclosed
CN-112979581-A Method for preparing benzothiazole compound from N- (2-bromophenyl) thioamide promoted by visible light 苏州大学 2021-06-18 — — CN disclosed
Send feedback