SCHEMBL6247679

SCHEMBL6247679

CCOC(=O)c1sc(NC(=O)CCl)c(-c2ccc(Cl)cc2Cl)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HTT P42858 3/20 0.51
CYP1A2 P05177 1/20 0.51
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 6/20 0.49
LMNA P02545 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CDC7 O00311 1/20 0.47
DBF4 Q9UBU7 1/20 0.47
TSHR P16473 1/20 0.46
PRKCZ Q05513 1/20 0.46
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL6249465 0.80 MAPT (0.58) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL9733812 0.74 ALDH1A1 (0.56) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL21350984 0.71 MAPT (0.50) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL26424875 0.70 HPGD (0.66) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL12918455 0.70 MAPT (0.54) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL3435564 0.69 MAPT (0.80) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL12918466 0.69 MAPT (0.53) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL951773 0.69 MAPT (0.53) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL12918468 0.69 MAPT (0.53) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL953048 0.69 MAPT (0.53) MAPTKDM4ESMN1; SMN2MEN1KMT2A

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
WO-2005044008-A2 2 -AMINOTHIOPHENE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-05-19 WO disclosed