SCHEMBL17319563

SCHEMBL17319563

O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 15/20 0.83
▸ MEN1 O00255 13/20 0.83
▸ CTDSP1 Q9GZU7 4/20 0.83
▸ BLM P54132 3/20 0.81
▸ TDP1 Q9NUW8 6/20 0.74
▸ POLB P06746 4/20 0.74
▸ ALDH1A1 P00352 3/20 0.67
▸ MAPT P10636 3/20 0.67
▸ LMNA P02545 2/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ GAA P10253 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ HTT P42858 1/20 0.67
▸ ATM Q13315 1/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ SENP8 Q96LD8 1/20 0.66
▸ SENP7 Q9BQF6 1/20 0.66
▸ SENP6 Q9GZR1 1/20 0.66
▸ PTPN7 P35236 1/20 0.66
▸ PTPN12 Q05209 1/20 0.66

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
SCHEMBL17319553 0.91 KMT2A (1.00) KMT2AMEN1CTDSP1BLMTDP1
SCHEMBL12008605 0.91 KMT2A (1.00) KMT2AMEN1CTDSP1BLMTDP1
SCHEMBL12008604 0.90 KMT2A (1.00) KMT2AMEN1CTDSP1BLMTDP1
SCHEMBL17319549 0.90 KMT2A (1.00) KMT2AMEN1CTDSP1BLMTDP1
SCHEMBL18545509 0.88 KMT2A (0.78) KMT2AMEN1CTDSP1BLMTDP1
SCHEMBL12008603 0.87 KMT2A (0.79) KMT2AMEN1CTDSP1BLMTDP1
SCHEMBL12008423 0.85 KMT2A (1.00) KMT2AMEN1CTDSP1BLMTDP1
SCHEMBL12008606 0.85 PTPN12 (0.76) KMT2AMEN1CTDSP1BLMTDP1
SCHEMBL12008607 0.85 KMT2A (0.75) KMT2AMEN1CTDSP1BLMTDP1
SCHEMBL12008768 0.84 CISD1 (0.79) KMT2AMEN1CTDSP1BLMTDP1

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
US-9206412-B2 Thioxothiazolidine inhibitors COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2015-12-08 — — US disclosed
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