SCHEMBL7839889

SCHEMBL7839889

CSC(=N[N+](=O)[O-])N(Cc1cnc(Cl)s1)C(=O)OC(C)Cl

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.35
RECQL P46063 1/20 0.34
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL7839887 1.00 BMP1 (0.35) BMP1RECQLMAPTPOLBGAA
SCHEMBL7839930 0.88 RECQL (0.41) BMP1RECQLMAPTPOLBGAA
SCHEMBL7839926 0.88 RECQL (0.41) BMP1RECQLMAPTPOLBGAA
SCHEMBL7842888 0.85 BMP1 (0.35) BMP1RECQLMAPTPOLBGAA
SCHEMBL7839071 0.85 RECQL (0.37) BMP1RECQLMAPTPOLBGAA
SCHEMBL7839068 0.85 RECQL (0.37) BMP1RECQLMAPTPOLBGAA
SCHEMBL8198591 0.84 RECQL (0.36) BMP1RECQLMAPTPOLBGAA
SCHEMBL8198592 0.84 RECQL (0.36) BMP1RECQLMAPTPOLBGAA
SCHEMBL7829741 0.84 BMP1 (0.37) BMP1RECQLMAPTPOLBGAA
SCHEMBL7829744 0.84 BMP1 (0.37) BMP1RECQLMAPTPOLBGAA

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 3 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-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