SCHEMBL28908239

SCHEMBL28908239

Cc1nnc(S)n1N=Cc1ccc(Cl)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSP90AA1 P07900 1/20 0.45
MAPT P10636 1/20 0.45
HIF1A Q16665 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 5/20 0.41
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
AMY1A P0DUB6 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL28519441 0.84 MEN1 (0.45) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL28527048 0.81 KMT2A (0.47) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL28519888 0.77 ALDH1A1 (0.56) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL28524362 0.76 CYP1A2 (0.58) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL28534889 0.75 NPC1 (0.52) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL28726344 0.75 AMY1A (0.54) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL28528816 0.72 MEN1 (0.54) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL28521757 0.72 MEN1 (0.50) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL28528912 0.71 KDM4E (0.46) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL28726342 0.68 MEN1 (0.57) ALDH1A1KDM4EMEN1KMT2ALMNA

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-108358896-B Compound for preparing medicine for preventing and treating crop pathogenic bacteria and preparation method 贵州大学 2021-01-08 CN disclosed