SCHEMBL22340639

SCHEMBL22340639

O=C(O)C[n+]1ccc(-c2ccnnc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 10/20 0.40
HDAC4 P56524 2/20 0.40
HCAR2 Q8TDS4 1/20 0.39
MITF O75030 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
NR2F2 P24468 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL22322813 0.89 WNT3A (0.34) WNT3AHDAC4HCAR2MITFALDH1A1
Hydrochloric Acid SCHEMBL2864557 0.84 KDM4E (0.44) MITFALDH1A1MAPTNR2F2HTT
SCHEMBL29019022 0.82 MEN1 (0.46) MITFALDH1A1MAPTNR2F2HTT
SCHEMBL11227570 0.82 KDM4E (0.46) MITFALDH1A1MAPTNR2F2HTT
SCHEMBL22340696 0.79 HCAR2 (0.33) WNT3AHDAC4HCAR2ALDH1A1HTT
SCHEMBL22322815 0.76 CHKA (0.33) WNT3AHDAC4
SCHEMBL22340377 0.75 WNT3A (0.34) WNT3AHDAC4HCAR2
Hydrochloric Acid SCHEMBL22322440 0.73 ALDH1A1 (0.37) MITFALDH1A1MAPTNR2F2HTT
SCHEMBL16843093 0.73 SLC6A4 (0.50) MITFALDH1A1MAPTNR2F2HTT
SCHEMBL22340400 0.72 MEN1 (0.44) WNT3AHDAC4MITFALDH1A1MAPT

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-2020161162-A1 HERBICIDAL PYRIDINIUM COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 WO disclosed