SCHEMBL5051690

SCHEMBL5051690

Cc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 15/20 0.78
▸ MEN1 O00255 12/20 0.78
▸ POLB P06746 5/20 0.69
▸ GPR35 Q9HC97 3/20 0.69
▸ MAPT P10636 2/20 0.69
▸ XBP1 P17861 1/20 0.69
▸ MAPK1 P28482 1/20 0.69
▸ HPGD P15428 1/20 0.69
▸ ALDH1A1 P00352 1/20 0.69
▸ NCOA3 Q9Y6Q9 1/20 0.69
▸ HIF1AN Q9NWT6 1/20 0.69
▸ NPSR1 Q6W5P4 1/20 0.64
▸ RXFP1 Q9HBX9 1/20 0.64
▸ PTPN12 Q05209 3/20 0.63
▸ NPC1 O15118 2/20 0.63
▸ TDP1 Q9NUW8 3/20 0.62
▸ SAE1 Q9UBE0 2/20 0.62
▸ UBA2 Q9UBT2 2/20 0.62
▸ PSMD14 O00487 1/20 0.62
▸ BLM P54132 1/20 0.62

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
SCHEMBL5051688 1.00 KMT2A (0.78) KMT2AMEN1POLBGPR35MAPT
SCHEMBL12692505 0.91 KMT2A (0.92) KMT2AMEN1POLBGPR35MAPT
SCHEMBL10088087 0.91 KMT2A (0.76) KMT2AMEN1POLBGPR35MAPT
SCHEMBL12692426 0.88 MEN1 (1.00) KMT2AMEN1POLBGPR35MAPT
SCHEMBL12008780 0.86 KMT2A (0.83) KMT2AMEN1POLBGPR35MAPT
SCHEMBL5049214 0.83 KMT2A (0.73) KMT2AMEN1POLBGPR35MAPT
SCHEMBL5049215 0.83 KMT2A (0.73) KMT2AMEN1POLBGPR35MAPT
SCHEMBL12008621 0.82 KMT2A (0.75) KMT2AMEN1POLBGPR35MAPT
SCHEMBL12008563 0.82 GPR35 (0.76) KMT2AMEN1POLBGPR35MAPT
SCHEMBL12008794 0.80 KMT2A (0.84) KMT2AMEN1POLBGPR35MAPT

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-7393869-B2 Methods of using thiazolidine derivatives to treat cancer or inflammation QLT INC. (CA) 2008-07-01 — — US claimed
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