SCHEMBL8801760

SCHEMBL8801760

CC(=O)N/C(=N\[N+](=O)[O-])NCc1cnc(Cl)s1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
ATG4B Q9Y4P1 2/20 0.32

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
SCHEMBL8801766 1.00 L3MBTL1 (0.39) L3MBTL1RECQLMAPTPOLBGAA
SCHEMBL8198326 0.88 MAPT (0.42) L3MBTL1RECQLMAPTPOLBGAA
Clothianidine SCHEMBL2413061 0.86 RECQL (0.39) L3MBTL1RECQLMAPTPOLBGAA
Clothianidine SCHEMBL21214 0.86 RECQL (0.39) L3MBTL1RECQLMAPTPOLBGAA
Clothianidine SCHEMBL14273626 0.86 RECQL (0.39) L3MBTL1RECQLMAPTPOLBGAA
Clothianidine SCHEMBL237824 0.86 RECQL (0.39) L3MBTL1RECQLMAPTPOLBGAA
Clothianidine SCHEMBL15380758 0.85 RECQL (0.38) L3MBTL1RECQLMAPTPOLBGAA
SCHEMBL8659282 0.85 RECQL (0.38) L3MBTL1RECQLMAPTPOLBGAA
SCHEMBL8659276 0.85 RECQL (0.38) L3MBTL1RECQLMAPTPOLBGAA
Clothianidine SCHEMBL19386022 0.84 RECQL (0.39) L3MBTL1RECQLMAPTPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0446913-B1 Process for the preparation of chlorothiazole derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-06-04 EP disclosed
EP-0446913-A1 Process for the preparation of chlorothiazole derivatives Takeda Chemical Industries, Ltd. (JP) 1991-09-18 EP disclosed