SCHEMBL9843314

SCHEMBL9843314

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

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
RECQL P46063 1/20 0.38
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
CFD P00746 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ATG4B Q9Y4P1 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9728506 1.00 MAPT (0.40) MAPTRECQLKMT2AKDM4EMEN1
SCHEMBL8747106 0.89 MAPT (0.36) MAPTRECQLKMT2AKDM4EMEN1
SCHEMBL8198326 0.86 MAPT (0.42) MAPTRECQLKMT2AKDM4EMEN1
SCHEMBL13508311 0.83 RECQL (0.40) MAPTRECQLKMT2AKDM4EMEN1
Clothianidine SCHEMBL19386022 0.82 RECQL (0.39) MAPTRECQLKMT2AKDM4EMEN1
Clothianidine SCHEMBL2413061 0.81 RECQL (0.39) MAPTRECQLKMT2AKDM4EMEN1
SCHEMBL4655363 0.81 RECQL (0.44) MAPTRECQLKMT2AKDM4EMEN1
SCHEMBL4655361 0.81 RECQL (0.44) MAPTRECQLKMT2AKDM4EMEN1
Clothianidine SCHEMBL21214 0.81 RECQL (0.39) MAPTRECQLKMT2AKDM4EMEN1
Clothianidine SCHEMBL237824 0.81 RECQL (0.39) MAPTRECQLKMT2AKDM4EMEN1

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-0418199-A2 Guanidine derivatives CIBA-GEIGY AG (CH) 1991-03-20 EP claimed
EP-0418199-A2 Guanidine derivatives CIBA-GEIGY AG (CH) 1991-03-20 EP disclosed