SCHEMBL29034243

SCHEMBL29034243

NC=S.NNCc1ccco1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
GAA P10253 1/20 0.54
CHRM2 P08172 1/20 0.46
POLB P06746 3/20 0.45
ALDH1A1 P00352 6/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
EPHX2 P34913 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL18539285 0.90
SCHEMBL12614746 0.76
SCHEMBL843371 0.72 CHRM2 (0.69) KMT2AGAACHRM2POLBALDH1A1
SCHEMBL25062693 0.70 KMT2A (1.00) KMT2AGAAPOLBALDH1A1MAPT
Methane SCHEMBL28948442 0.70 CHRM2 (0.67) KMT2AGAACHRM2POLBALDH1A1
SCHEMBL23823019 0.70
SCHEMBL525757 0.69 KMT2A (0.69) KMT2AGAAPOLBALDH1A1MAPT
SCHEMBL29034241 0.69 ALOX5 (0.44) KMT2AGAACHRM2ALDH1A1MAPT
SCHEMBL4657208 0.69
SCHEMBL1642902 0.69 CHRM2 (0.77) KMT2AGAACHRM2POLBALDH1A1

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
CN-116234800-A Copper complexes for the treatment of neurodegenerative disorders ALS治疗发展学会 2023-06-06 CN disclosed