SCHEMBL17319564

SCHEMBL17319564

CCc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(Br)c3)C2=O)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 12/20 0.79
▸ KMT2A Q03164 12/20 0.79
▸ POLB P06746 7/20 0.79
▸ TDP1 Q9NUW8 3/20 0.79
▸ NPC1 O15118 2/20 0.79
▸ DDX3X O00571 3/20 0.73
▸ BLM P54132 2/20 0.70
▸ PSMD14 O00487 1/20 0.70
▸ SAE1 Q9UBE0 1/20 0.70
▸ UBA2 Q9UBT2 1/20 0.70
▸ MAPT P10636 3/20 0.67
▸ ALDH1A1 P00352 1/20 0.65
▸ CTDSP1 Q9GZU7 3/20 0.63
▸ RAB9A P51151 2/20 0.63
▸ MYC P01106 1/20 0.63
▸ MAX P61244 1/20 0.63
▸ PTPN7 P35236 1/20 0.63
▸ PTPN12 Q05209 1/20 0.63
▸ GPR35 Q9HC97 1/20 0.63
▸ PTPN22 Q9Y2R2 1/20 0.63

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
SCHEMBL12008592 0.89 KMT2A (1.00) MEN1KMT2APOLBTDP1NPC1
SCHEMBL17319562 0.88 KMT2A (0.77) MEN1KMT2APOLBTDP1NPC1
SCHEMBL17319537 0.86 KMT2A (0.74) MEN1KMT2APOLBTDP1NPC1
SCHEMBL11913683 0.84 DDX3X (1.00) MEN1KMT2APOLBNPC1DDX3X
SCHEMBL12008774 0.83 KMT2A (0.90) MEN1KMT2APOLBTDP1NPC1
SCHEMBL12008751 0.83 DDX3X (0.80) MEN1KMT2APOLBTDP1NPC1
SCHEMBL17319544 0.83 KMT2A (1.00) MEN1KMT2APOLBTDP1NPC1
SCHEMBL12008985 0.83 MEN1 (0.81) MEN1KMT2APOLBTDP1NPC1
SCHEMBL12008585 0.83 KMT2A (1.00) MEN1KMT2APOLBTDP1NPC1
SCHEMBL12008588 0.82 KMT2A (0.76) MEN1KMT2APOLBTDP1NPC1

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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