SCHEMBL7828980

SCHEMBL7828980

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.35
MAPT P10636 1/20 0.34
BMP1 P13497 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
PKM P14618 1/20 0.32
COMT P21964 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 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
SCHEMBL7829457 0.94 RECQL (0.36) RECQLMAPTBMP1POLBGAA
SCHEMBL7840615 0.90 RECQL (0.37) RECQLMAPTBMP1POLBGAA
SCHEMBL5426996 0.87 RECQL (0.41) RECQLMAPTBMP1POLBGAA
SCHEMBL5426992 0.87 RECQL (0.41) RECQLMAPTBMP1POLBGAA
SCHEMBL7838061 0.85 BMP1 (0.36) RECQLMAPTBMP1POLBGAA
SCHEMBL7841903 0.84 RECQL (0.38) RECQLMAPTBMP1POLBGAA
SCHEMBL7837268 0.83 RECQL (0.39) RECQLMAPTBMP1POLBGAA
SCHEMBL7838957 0.83 BMP1 (0.38) RECQLMAPTBMP1POLBGAA
SCHEMBL7838903 0.83 L3MBTL1 (0.38) RECQLMAPTBMP1POLBGAA
SCHEMBL8196105 0.82 RECQL (0.38) RECQLMAPTBMP1POLBGAA

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 5 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 claimed
CN-1028592-C Insecticidal composition containing novel substituted guanidine derivative and application TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-05-31 CN claimed
US-5256679-A Pesticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-26 US claimed
CN-1059719-A Novel substituted guanidine derivatives, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1992-03-25 CN claimed
EP-0471372-A1 Novel substituted guanidine derivatives, their preparation and use Takeda Chemical Industries, Ltd. (JP) 1992-02-19 EP claimed