SCHEMBL7841906

SCHEMBL7841906

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 3/20 0.34
BMP1 P13497 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 2/20 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
SCHEMBL7841903 1.00 RECQL (0.38) RECQLPOLBGAAMAPTBMP1
SCHEMBL7828871 0.91 LMNA (0.36) RECQLPOLBGAAMAPTBMP1
SCHEMBL7828876 0.91 LMNA (0.36) RECQLPOLBGAAMAPTBMP1
SCHEMBL8196105 0.90 RECQL (0.38) RECQLPOLBGAAMAPTBMP1
SCHEMBL8196106 0.90 RECQL (0.38) RECQLPOLBGAAMAPTBMP1
SCHEMBL7840613 0.89 RECQL (0.37) RECQLPOLBGAAMAPTBMP1
SCHEMBL7840615 0.89 RECQL (0.37) RECQLPOLBGAAMAPTBMP1
SCHEMBL7838890 0.89 RECQL (0.38) RECQLPOLBGAAMAPTBMP1
SCHEMBL7838887 0.89 RECQL (0.38) RECQLPOLBGAAMAPTBMP1
SCHEMBL5426996 0.88 RECQL (0.41) RECQLPOLBGAAMAPTBMP1

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
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
CN-1059719-A Novel substituted guanidine derivatives, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1992-03-25 CN disclosed
EP-0471372-A1 Novel substituted guanidine derivatives, their preparation and use Takeda Chemical Industries, Ltd. (JP) 1992-02-19 EP disclosed