SCHEMBL9728499

SCHEMBL9728499

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
RECQL P46063 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8528430 0.84 RECQL (0.42) MAPTRECQLPOLBGAAKMT2A
SCHEMBL9843165 0.81 RECQL (0.40) MAPTRECQLPOLBGAAKMT2A
Clothianidine SCHEMBL21215 0.80 RECQL (0.39) MAPTRECQLPOLBGAAKMT2A
Clothianidine SCHEMBL312742 0.80 RECQL (0.39) MAPTRECQLPOLBGAAKMT2A
SCHEMBL8198330 0.79 MAPT (0.38) MAPTRECQLPOLBGAAKMT2A
SCHEMBL31668878 0.77 KMT2A (0.37) MAPTPOLBGAAKMT2AMEN1
SCHEMBL31668879 0.77 KMT2A (0.37) MAPTPOLBGAAKMT2AMEN1
SCHEMBL1527003 0.77 RECQL (0.39) MAPTRECQLPOLBGAAKMT2A
SCHEMBL7671870 0.75 MAPT (0.42) MAPTRECQLPOLBGAAKMT2A
SCHEMBL8198326 0.75 MAPT (0.42) MAPTRECQLPOLBGAAKMT2A

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
US-5166164-A Nontoxic to mammals, fish, and crustaceans; nonphytotoxic AGRO-KANESHO CO., LTD. (JP) 1992-11-24 US claimed
EP-0425978-A2 Nitroguanidine compounds and insecticides AGRO-KANESHO CO., LTD. (JP) 1991-05-08 EP claimed
US-5166164-A Nontoxic to mammals, fish, and crustaceans; nonphytotoxic AGRO-KANESHO CO., LTD. (JP) 1992-11-24 US disclosed
EP-0425978-A2 Nitroguanidine compounds and insecticides AGRO-KANESHO CO., LTD. (JP) 1991-05-08 EP disclosed