SCHEMBL7840103

SCHEMBL7840103

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

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL7840104 1.00 RECQL (0.38) RECQLMAPTL3MBTL1GAAPOLB
SCHEMBL13508311 0.83 RECQL (0.40) RECQLMAPTL3MBTL1GAAPOLB
SCHEMBL8198326 0.82 MAPT (0.42) RECQLMAPTL3MBTL1GAAPOLB
Clothianidine SCHEMBL21214 0.81 RECQL (0.39) RECQLMAPTL3MBTL1GAAPOLB
Clothianidine SCHEMBL237824 0.81 RECQL (0.39) RECQLMAPTL3MBTL1GAAPOLB
SCHEMBL4655363 0.81 RECQL (0.44) RECQLMAPTL3MBTL1GAAPOLB
Clothianidine SCHEMBL2413061 0.81 RECQL (0.39) RECQLMAPTL3MBTL1GAAPOLB
Clothianidine SCHEMBL14273626 0.81 RECQL (0.39) RECQLMAPTL3MBTL1GAAPOLB
SCHEMBL4655361 0.81 RECQL (0.44) RECQLMAPTL3MBTL1GAAPOLB
SCHEMBL9843314 0.80 MAPT (0.40) RECQLMAPTL3MBTL1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0471372-B1 Novel substituted guanidine derivatives, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-21 EP disclosed
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
US-5256679-A Pesticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-26 US disclosed
EP-0471372-A1 Novel substituted guanidine derivatives, their preparation and use Takeda Chemical Industries, Ltd. (JP) 1992-02-19 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