SCHEMBL28528816

SCHEMBL28528816

Cc1nnc(S)n1N=Cc1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 4/20 0.53
LMNA P02545 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CYP1A2 P05177 2/20 0.53
ATM Q13315 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
MAPK1 P28482 1/20 0.53
GLA P06280 1/20 0.50
GAA P10253 3/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 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
SCHEMBL28726342 0.87 MEN1 (0.57) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL28530430 0.84 MEN1 (0.54) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL28519888 0.84 ALDH1A1 (0.56) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL28238284 0.84 MEN1 (0.77) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL28521419 0.82 CYP1A2 (0.58) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL28726431 0.82 MEN1 (0.51) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL28534884 0.82 MEN1 (0.51) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL28528805 0.81 KMT2A (0.50) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL28523439 0.81 MEN1 (0.50) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL29465902 0.80 ALDH1A1 (0.52) MEN1KMT2AALDH1A1KDM4ELMNA

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