SCHEMBL7693261

SCHEMBL7693261

Cc1ccc(-c2n[nH]c(=S)n2-c2ccc(Cl)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.88
HPGD P15428 5/20 0.73
KDM4E B2RXH2 5/20 0.73
ALDH1A1 P00352 3/20 0.73
KMT2A Q03164 2/20 0.73
PPARG P37231 2/20 0.73
NCOA2 Q15596 2/20 0.73
NCOA1 Q15788 2/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
MEN1 O00255 1/20 0.73
HTT P42858 1/20 0.72
CUL4A Q13619 1/20 0.72
TDP1 Q9NUW8 1/20 0.71
CA9 Q16790 3/20 0.67
CA12 O43570 2/20 0.67
CA1 P00915 2/20 0.67
CA2 P00918 2/20 0.67
POLB P06746 1/20 0.67
LMNA P02545 1/20 0.61

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
SCHEMBL7691829 0.78 HPGD (0.91) GFERHPGDKDM4EALDH1A1KMT2A
SCHEMBL14563911 0.77 GFER (0.69) GFERHPGDKDM4EALDH1A1KMT2A
SCHEMBL5434943 0.77 ALDH1A1 (0.76) GFERHPGDKDM4EALDH1A1KMT2A
SCHEMBL7694437 0.74 HPGD (0.71) HPGDKDM4EALDH1A1KMT2APPARG
SCHEMBL7072642 0.74 ALDH1A1 (0.81) GFERHPGDKDM4EALDH1A1KMT2A
SCHEMBL13983998 0.72 BCHE (0.67) GFERHPGDKDM4EALDH1A1KMT2A
SCHEMBL8978563 0.72 APOBEC3G (1.00) GFERHPGDKDM4EALDH1A1KMT2A
SCHEMBL20986874 0.72 TDP1 (0.69) GFERHPGDKDM4EALDH1A1KMT2A
SCHEMBL8978622 0.72 HPGD (0.79) GFERHPGDKDM4EALDH1A1KMT2A
SCHEMBL7694498 0.72 CA12 (0.70) GFERHPGDKDM4EALDH1A1KMT2A

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-2002066447-A1 4H-1,2,4-TRIAZOLE-3(2H)-THIONE DERATIVES AS SPHINGOMYELINASE INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2002-08-29 WO disclosed