SCHEMBL17319537

SCHEMBL17319537

CCc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 17/20 0.74
▸ MEN1 O00255 16/20 0.74
▸ POLB P06746 8/20 0.74
▸ TDP1 Q9NUW8 5/20 0.74
▸ NPC1 O15118 2/20 0.74
▸ SAE1 Q9UBE0 2/20 0.73
▸ UBA2 Q9UBT2 2/20 0.73
▸ PSMD14 O00487 1/20 0.73
▸ BLM P54132 1/20 0.73
▸ RAB9A P51151 2/20 0.66
▸ PTPN7 P35236 1/20 0.66
▸ PTPN12 Q05209 1/20 0.66
▸ GPR35 Q9HC97 1/20 0.66
▸ PTPN22 Q9Y2R2 1/20 0.66
▸ GPR55 Q9Y2T6 1/20 0.66
▸ ALDH1A1 P00352 3/20 0.65
▸ MYC P01106 1/20 0.63
▸ MAX P61244 1/20 0.63
▸ DDX3X O00571 1/20 0.62
▸ 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
SCHEMBL17319564 0.86 MEN1 (0.79) KMT2AMEN1POLBTDP1NPC1
SCHEMBL12008592 0.85 KMT2A (1.00) KMT2AMEN1POLBTDP1NPC1
SCHEMBL12008585 0.84 KMT2A (1.00) KMT2AMEN1POLBTDP1NPC1
SCHEMBL17319544 0.84 KMT2A (1.00) KMT2AMEN1POLBTDP1NPC1
SCHEMBL12008589 0.84 MEN1 (0.76) KMT2AMEN1POLBTDP1NPC1
SCHEMBL12008588 0.84 KMT2A (0.76) KMT2AMEN1POLBTDP1NPC1
SCHEMBL17319562 0.84 KMT2A (0.77) KMT2AMEN1POLBTDP1NPC1
SCHEMBL17319538 0.83 MAPT (0.73) KMT2AMEN1POLBTDP1NPC1
SCHEMBL6720197 0.83 MEN1 (0.76) KMT2AMEN1POLBNPC1PSMD14
SCHEMBL29351320 0.82 GPR35 (0.76) KMT2AMEN1POLBTDP1NPC1

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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