SCHEMBL8198591

SCHEMBL8198591

CS/C(=N/[N+](=O)[O-])N(Cc1cnc(Cl)s1)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
BMP1 P13497 1/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 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
SCHEMBL8198592 1.00 RECQL (0.36) RECQLL3MBTL1MAPTSMN1; SMN2POLB
SCHEMBL7839588 0.90 RECQL (0.35) RECQLL3MBTL1MAPTSMN1; SMN2POLB
SCHEMBL7839585 0.90 RECQL (0.35) RECQLL3MBTL1MAPTSMN1; SMN2POLB
SCHEMBL7842888 0.88 BMP1 (0.35) RECQLL3MBTL1MAPTSMN1; SMN2POLB
SCHEMBL7839930 0.88 RECQL (0.41) RECQLL3MBTL1MAPTSMN1; SMN2POLB
SCHEMBL7839926 0.88 RECQL (0.41) RECQLL3MBTL1MAPTSMN1; SMN2POLB
SCHEMBL7836447 0.86 LMNA (0.35) RECQLL3MBTL1MAPTSMN1; SMN2POLB
SCHEMBL7836444 0.86 LMNA (0.35) RECQLL3MBTL1MAPTSMN1; SMN2POLB
SCHEMBL7839068 0.85 RECQL (0.37) RECQLL3MBTL1MAPTPOLBGAA
SCHEMBL7828968 0.85 SMN1; SMN2 (0.36) RECQLL3MBTL1MAPTSMN1; SMN2POLB

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