SCHEMBL7840106

SCHEMBL7840106

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 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
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL4655364 0.81 RECQL (0.44) RECQLMAPTL3MBTL1GAAPOLB
SCHEMBL9843190 0.79 RECQL (0.38) RECQLMAPTL3MBTL1GAAPOLB
SCHEMBL8801770 0.78 L3MBTL1 (0.39) RECQLMAPTL3MBTL1GAAPOLB
SCHEMBL8198330 0.77 MAPT (0.38) RECQLMAPTL3MBTL1GAAPOLB
SCHEMBL9134253 0.76 ALDH1A1 (0.42) L3MBTL1GAAKMT2AALDH1A1LMNA
SCHEMBL2958535 0.76 CHRNB2 (0.41) MAPTGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL8805455 0.76 RECQL (0.38) RECQLMAPTL3MBTL1GAAPOLB
SCHEMBL7840103 0.74 RECQL (0.38) RECQLMAPTL3MBTL1GAAPOLB
SCHEMBL7840104 0.74 RECQL (0.38) RECQLMAPTL3MBTL1GAAPOLB
SCHEMBL9852593 0.73 MAPT (0.39) 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