SCHEMBL25668154

SCHEMBL25668154

CNC(C)c1ncnn1-c1ccc(=O)n(C)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
KMT2A Q03164 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH3 Q9Y5N1 3/20 0.34
HTT P42858 1/20 0.33
PKM P14618 1/20 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
Hydrochloric Acid SCHEMBL25234468 0.82 ALDH1A1 (0.35) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL25231323 0.79 HRH3 (0.35) ALDH1A1LMNAKMT2ASMN1; SMN2HRH3
SCHEMBL25274315 0.79 HRH3 (0.35) ALDH1A1LMNAKMT2ASMN1; SMN2HRH3
SCHEMBL31468849 0.78 ALDH1A1 (0.34) ALDH1A1LMNASMN1; SMN2HRH3
SCHEMBL31468850 0.74 L3MBTL1 (0.35) MEN1KMT2AHRH3HTT
SCHEMBL31172136 0.74 LMNA (0.33) LMNASMN1; SMN2HTT
SCHEMBL31468872 0.74 GPR139 (0.39) MEN1ALDH1A1KMT2AHRH3HTT
SCHEMBL25275725 0.74 LMNA (0.33) LMNASMN1; SMN2HTT
SCHEMBL25275724 0.74 LMNA (0.33) LMNASMN1; SMN2HTT
SCHEMBL31468868 0.74 ALDH1A1 (0.32) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023104714-A1 PESTICIDALLY ACTIVE PYRIDAZINONE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-06-15 WO disclosed