SCHEMBL8198326

SCHEMBL8198326

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

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
RECQL P46063 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
ATG4B Q9Y4P1 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8659282 0.93 RECQL (0.38) MAPTRECQLKMT2AMEN1LMNA
SCHEMBL8659276 0.93 RECQL (0.38) MAPTRECQLKMT2AMEN1LMNA
Clothianidine SCHEMBL237824 0.92 RECQL (0.39) MAPTRECQLKMT2AMEN1LMNA
Clothianidine SCHEMBL14273626 0.92 RECQL (0.39) MAPTRECQLKMT2AMEN1LMNA
Clothianidine SCHEMBL2413061 0.92 RECQL (0.39) MAPTRECQLKMT2AMEN1LMNA
Clothianidine SCHEMBL21214 0.92 RECQL (0.39) MAPTRECQLKMT2AMEN1LMNA
Clothianidine SCHEMBL15380758 0.91 RECQL (0.38) MAPTRECQLKMT2AMEN1LMNA
SCHEMBL13240173 0.88 RECQL (0.42) MAPTRECQLKMT2AMEN1LMNA
SCHEMBL238922 0.88 RECQL (0.37) MAPTRECQLKMT2AMEN1LMNA
SCHEMBL13872453 0.88 RECQL (0.42) MAPTRECQLKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6160126-A Synthetic Intermediates for the preparation of N, N'-Di-substituted isothiourea derivatives and N-cyclic(methyl)-N'-Substituted isothiourea derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-12 US disclosed
US-5696256-A CHEMICAL INTERMEDIATE FOR INSECTICIDES; MITICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-09 US disclosed
EP-0452782-B1 Novel intermediates for preparing guanidine derivatives, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-01-15 EP disclosed
EP-0452782-A1 Novel intermediates for preparing guanidine derivatives, their preparation and use Takeda Chemical Industries, Ltd. (JP) 1991-10-23 EP disclosed