SCHEMBL28524362

SCHEMBL28524362

Cc1nnc(S)n1N=Cc1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 6/20 0.50
MAPK1 P28482 2/20 0.47
GAA P10253 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
CHRM5 P08912 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 3/20 0.43
SAE1 Q9UBE0 2/20 0.43
UBA2 Q9UBT2 2/20 0.43
CDK4 P11802 1/20 0.43
CDK6 Q00534 1/20 0.43
PSMD14 O00487 1/20 0.43

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
SCHEMBL28527168 0.86 CYP1A2 (0.80) CYP1A2MEN1KMT2AMAPTLMNA
SCHEMBL28530258 0.83 CYP1A2 (0.58) CYP1A2MEN1KMT2AMAPTLMNA
SCHEMBL28521419 0.83 CYP1A2 (0.58) CYP1A2MEN1KMT2AMAPTLMNA
SCHEMBL28519888 0.82 ALDH1A1 (0.56) CYP1A2MEN1KMT2AMAPTLMNA
SCHEMBL28238284 0.82 MEN1 (0.77) CYP1A2MEN1KMT2AMAPTLMNA
SCHEMBL28520476 0.81 MAPT (0.62) CYP1A2MEN1KMT2AMAPTLMNA
SCHEMBL28528912 0.78 KDM4E (0.46) CYP1A2MEN1KMT2AMAPTLMNA
SCHEMBL28938664 0.78 ALDH1A1 (0.52) CYP1A2MEN1KMT2AMAPTLMNA
SCHEMBL29465902 0.78 ALDH1A1 (0.52) CYP1A2MEN1KMT2AMAPTLMNA
SCHEMBL28528748 0.78 ALDH1A1 (0.83) CYP1A2MEN1KMT2AMAPTLMNA

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