SCHEMBL8801770

SCHEMBL8801770

CC(=O)NC(=NCc1cnc(Cl)s1)N[N+](=O)[O-]

nearest known ligand 0.46

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
SMN1; SMN2 Q16637 1/20 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
SCHEMBL9843190 0.84 RECQL (0.38) L3MBTL1RECQLMAPTPOLBGAA
SCHEMBL8198330 0.82 MAPT (0.38) L3MBTL1RECQLMAPTPOLBGAA
SCHEMBL8805455 0.79 RECQL (0.38) L3MBTL1RECQLMAPTPOLBGAA
SCHEMBL4655364 0.79 RECQL (0.44) L3MBTL1RECQLMAPTPOLBGAA
SCHEMBL7840106 0.78 RECQL (0.38) L3MBTL1RECQLMAPTPOLBGAA
SCHEMBL8867161 0.77 ALDH1A1 (0.42) MAPTGAAKMT2AALDH1A1KDM4E
SCHEMBL8801766 0.76 L3MBTL1 (0.39) L3MBTL1RECQLMAPTPOLBGAA
SCHEMBL8801760 0.76 L3MBTL1 (0.39) L3MBTL1RECQLMAPTPOLBGAA
Clothianidine SCHEMBL21215 0.73 RECQL (0.39) L3MBTL1RECQLMAPTPOLBGAA
Clothianidine SCHEMBL312742 0.73 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