SCHEMBL28762091

SCHEMBL28762091

O=[SH](=O)Cc1nc(Cl)c(Cc2ccccc2)c(N2CCCCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
CHRM3 P20309 1/20 0.41
GFER P55789 2/20 0.39
ALDH1A1 P00352 7/20 0.37
LMNA P02545 5/20 0.37
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
MAPK1 P28482 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 3/20 0.36
RECQL P46063 1/20 0.36
PKM P14618 1/20 0.36
MAOB P27338 1/20 0.35

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
SCHEMBL27670601 0.99 HTT (0.41) MEN1KMT2AHTTNPSR1PDE4A
SCHEMBL27670599 0.86 TSHR (0.41) MEN1KMT2AHTTNPSR1PDE4A
SCHEMBL5707141 0.81 HTT (0.41) MEN1KMT2AHTTNPSR1PDE4A
SCHEMBL5477311 0.81 LMNA (0.50) MEN1KMT2AHTTNPSR1PDE4A
SCHEMBL5475186 0.80 HTT (0.47) MEN1KMT2AHTTNPSR1PDE4A
SCHEMBL5475680 0.79 LMNA (0.56) MEN1KMT2AHTTNPSR1PDE4A
SCHEMBL5475623 0.78 LMNA (0.57) MEN1KMT2AHTTNPSR1PDE4A
SCHEMBL5481459 0.77 HTT (0.42) MEN1KMT2AHTTNPSR1PDE4A
SCHEMBL5479130 0.76 HTT (0.40) MEN1KMT2AHTTNPSR1PDE4A
SCHEMBL5477103 0.76 ALDH1A1 (0.47) MEN1KMT2AHTTNPSR1PDE4A

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-1942188-A Pyrimidine derivatives and their use as agricultural and horticultural fungicides BAYER CROPSCIENCE AG (DE) 2007-04-04 CN disclosed