SCHEMBL9504764

SCHEMBL9504764

N=C(NC1CC1)N[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
EPHX2 P34913 1/20 0.32
RAB9A P51151 1/20 0.32
MMP2 P08253 1/20 0.31
MMP8 P22894 1/20 0.31
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL5276371 0.75 ALDH1A1 (0.44) ALDH1A1TP53MAPK1HPGD
SCHEMBL4196105 0.69
SCHEMBL7875334 0.69
SCHEMBL687481 0.67
SCHEMBL422868 0.67
SCHEMBL28530303 0.67 EPHX1 (0.61) ALDH1A1SMN1; SMN2EPHX2RAB9AMAPT
SCHEMBL249032 0.66
SCHEMBL165882 0.65
SCHEMBL29034411 0.65
SCHEMBL14289080 0.64

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
US-5223520-A Insecticides CIBA-GEIGY CORPORATION (US) 1993-06-29 US disclosed
EP-0507736-A1 Heterocyclic amidine derivatives and their use as pesticides CIBA-GEIGY AG (CH) 1992-10-07 EP disclosed