SCHEMBL8528430

SCHEMBL8528430

O=C(NCc1cnc(Cl)s1)N[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.42
MAPT P10636 2/20 0.42
ATG4B Q9Y4P1 6/20 0.41
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
CDK2 P24941 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
HIPK4 Q8NE63 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9728499 0.84 MAPT (0.41) RECQLMAPTATG4BPOLBGAA
SCHEMBL9843165 0.82 RECQL (0.40) RECQLMAPTPOLBGAAKMT2A
Clothianidine SCHEMBL312742 0.81 RECQL (0.39) RECQLMAPTPOLBGAAKMT2A
Clothianidine SCHEMBL21215 0.81 RECQL (0.39) RECQLMAPTPOLBGAAKMT2A
SCHEMBL8198330 0.80 MAPT (0.38) RECQLMAPTATG4BPOLBGAA
SCHEMBL31742336 0.78 L3MBTL1 (0.43) RECQLMAPTGAAKMT2AKDM4E
SCHEMBL8198326 0.77 MAPT (0.42) RECQLMAPTATG4BPOLBGAA
SCHEMBL7671870 0.77 MAPT (0.42) RECQLMAPTATG4BPOLBGAA
SCHEMBL20659199 0.76 SMN1; SMN2 (0.45) RECQLMAPTKMT2AKDM4EMEN1
SCHEMBL12076964 0.74 POLB (0.46) RECQLMAPTPOLBKMT2AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873325-A1 PROCESS FOR PRODUCING GUANIDINE DERIVATIVES, INTERMEDIATES THEREFOR AND THEIR PRODUCTION Takeda Chemical Industries, Ltd. (JP) 1998-10-28 EP disclosed
WO-1997000867-A1 PROCESS FOR PRODUCING GUANIDINE DERIVATIVES, INTERMEDIATES THEREFOR AND THEIR PRODUCTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-09 WO disclosed