SCHEMBL7828876

SCHEMBL7828876

CCCCC(=O)N(Cc1cnc(Cl)s1)C(=N[N+](=O)[O-])NC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.35
BMP1 P13497 1/20 0.34
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
MAPK10 P53779 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 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
SCHEMBL7828871 1.00 LMNA (0.36) LMNARECQLBMP1POLBGAA
SCHEMBL7841906 0.91 RECQL (0.38) LMNARECQLBMP1POLBGAA
SCHEMBL7841903 0.91 RECQL (0.38) LMNARECQLBMP1POLBGAA
SCHEMBL7828980 0.85 RECQL (0.35) LMNARECQLBMP1POLBGAA
SCHEMBL8196105 0.85 RECQL (0.38) LMNARECQLBMP1POLBGAA
SCHEMBL8196106 0.85 RECQL (0.38) LMNARECQLBMP1POLBGAA
SCHEMBL7836447 0.84 LMNA (0.35) LMNARECQLBMP1POLBGAA
SCHEMBL7836444 0.84 LMNA (0.35) LMNARECQLBMP1POLBGAA
SCHEMBL7840613 0.84 RECQL (0.37) LMNARECQLBMP1POLBGAA
SCHEMBL7840615 0.84 RECQL (0.37) LMNARECQLBMP1POLBGAA

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