SCHEMBL7874047

SCHEMBL7874047

COC(=O)CCS(=O)(=O)c1ccc(I)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
HTT P42858 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MMP1 P03956 1/20 0.51
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 6/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 2/20 0.49
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TXNRD1 Q16881 1/20 0.45
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44

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
SCHEMBL7874157 0.85 KMT2A (0.71) KMT2AALDH1A1LMNAGAAPOLB
SCHEMBL7862198 0.84 LMNA (0.55) KMT2AHTTMEN1ALDH1A1LMNA
SCHEMBL7874068 0.83 POLB (0.59) KMT2AMMP1MEN1ALDH1A1LMNA
SCHEMBL7870908 0.83 ALDH1A1 (0.62) KMT2AHTTNPSR1MMP1MEN1
SCHEMBL28897130 0.83 KMT2A (0.53) KMT2AHTTNPSR1MMP1MEN1
SCHEMBL28101227 0.83 MAPT (0.59) KMT2AHTTNPSR1MMP1LMNA
SCHEMBL16144557 0.82 KMT2A (0.57) KMT2AHTTNPSR1MMP1MEN1
SCHEMBL7862156 0.81 KMT2A (0.74) KMT2AHTTNPSR1MMP1MEN1
SCHEMBL7862104 0.81 HDAC1 (0.57) KMT2AHTTNPSR1MMP1LMNA
SCHEMBL10280755 0.81 PSIP1 (0.54) KMT2AHTTNPSR1MMP1MEN1

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
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP claimed
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP disclosed