SCHEMBL25668201

SCHEMBL25668201

CC(N)c1ncnn1-c1ccc(=O)n(C)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
KMT2A Q03164 1/20 0.36
RELA Q04206 1/20 0.36
HRH3 Q9Y5N1 2/20 0.33
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 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
SCHEMBL25668156 1.00 ALDH1A1 (0.36) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL25234468 0.99 ALDH1A1 (0.35) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL25668154 0.83 KDM4E (0.35) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL25668225 0.82 HRH3 (0.36) HRH3
SCHEMBL26474840 0.82 HRH3 (0.36) HRH3
Hydrochloric Acid SCHEMBL25281998 0.81 HRH3 (0.35) HRH3
SCHEMBL25668259 0.74 OGA (0.36) MEN1LMNAKMT2AHRH3
SCHEMBL26474883 0.74 OGA (0.36) MEN1LMNAKMT2AHRH3
SCHEMBL25274315 0.74 HRH3 (0.35) ALDH1A1SMN1; SMN2LMNAKMT2AHRH3
SCHEMBL25231323 0.74 HRH3 (0.35) ALDH1A1SMN1; SMN2LMNAKMT2AHRH3

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
WO-2023104714-A1 PESTICIDALLY ACTIVE PYRIDAZINONE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-06-15 WO disclosed
WO-2023072849-A1 PESTICIDALLY ACTIVE PYRIDAZINONE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-05-04 WO disclosed