SCHEMBL10833009

SCHEMBL10833009

O=c1c2c(Cl)cccc2sn1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
MAPK1 P28482 2/20 0.39
MCL1 Q07820 1/20 0.39
G6PD P11413 4/20 0.36
PHOSPHO1 Q8TCT1 4/20 0.36
PMM2 O15305 3/20 0.36
MPI P34949 3/20 0.36
MIF P14174 1/20 0.36
OGG1 O15527 1/20 0.35
CASP3 P42574 2/20 0.35
CASP7 P55210 2/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.33
IDO1 P14902 1/20 0.33
KAT2B Q92831 1/20 0.33

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
SCHEMBL8373396 0.75 MPI (0.57) G6PDPHOSPHO1PMM2MPIMIF
SCHEMBL10833396 0.69 CASP3 (0.59) G6PDPHOSPHO1PMM2MPICASP3
SCHEMBL31568860 0.65 MAPK1 (0.53) MAPK1MCL1OGG1MEN1ALDH1A1
SCHEMBL2970289 0.63 MAPT (0.48) ERCC5FEN1MAPK1MCL1OGG1
SCHEMBL8371739 0.62 MPI (0.62) G6PDPHOSPHO1PMM2MPICASP3
SCHEMBL151907 0.60 KDM4E (0.54) MAPK1MCL1OGG1MEN1ALDH1A1
SCHEMBL9310672 0.60 CYP1A2 (0.48) FEN1MEN1ALDH1A1KMT2ATDP1
SCHEMBL3150930 0.60 LMNA (0.41) MAPK1MCL1OGG1MEN1ALDH1A1
SCHEMBL2472914 0.59 KDM4E (0.57) MAPK1MCL1OGG1MEN1ALDH1A1
SCHEMBL7226057 0.57 GPR3 (0.54) MAPK1MCL1OGG1MEN1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4599427-A FUNGICIDES BACTERICIDES SLIMICIDES ALGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1986-07-08 US disclosed
EP-0106243-B1 AZOLYL-METHYL AMINES, THEIR PREPARATION AND THEIR USE IN MICROBICIDE COMPOSITIONS BAYER AG (DE) 1986-05-28 EP disclosed
EP-0106243-A1 Azolyl-methyl amines, their preparation and their use in microbicide compositions BAYER AG (DE) 1984-04-25 EP disclosed