SCHEMBL8198330

SCHEMBL8198330

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
RECQL P46063 1/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
ATG4B Q9Y4P1 2/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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 0.89 RECQL (0.38) MAPTRECQLKMT2AMEN1LMNA
Clothianidine SCHEMBL312742 0.86 RECQL (0.39) MAPTRECQLKMT2AMEN1LMNA
Clothianidine SCHEMBL21215 0.86 RECQL (0.39) MAPTRECQLKMT2AMEN1LMNA
SCHEMBL8801770 0.82 L3MBTL1 (0.39) MAPTRECQLKMT2AMEN1LMNA
SCHEMBL8528430 0.80 RECQL (0.42) MAPTRECQLKMT2AMEN1LMNA
SCHEMBL8198326 0.80 MAPT (0.42) MAPTRECQLKMT2AMEN1LMNA
SCHEMBL9843165 0.79 RECQL (0.40) MAPTRECQLKMT2AMEN1LMNA
SCHEMBL9728499 0.79 MAPT (0.41) MAPTRECQLKMT2AMEN1LMNA
SCHEMBL4655364 0.78 RECQL (0.44) MAPTRECQLKMT2AMEN1LMNA
SCHEMBL7840106 0.77 RECQL (0.38) 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