SCHEMBL17319549

SCHEMBL17319549

O=C(CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)Nc1cccc(C(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 17/20 1.00
▸ MEN1 O00255 15/20 1.00
▸ CTDSP1 Q9GZU7 7/20 1.00
▸ BLM P54132 2/20 1.00
▸ POLB P06746 8/20 0.81
▸ TDP1 Q9NUW8 5/20 0.81
▸ NPC1 O15118 3/20 0.81
▸ PTPN12 Q05209 4/20 0.77
▸ GPR35 Q9HC97 4/20 0.77
▸ PTPN22 Q9Y2R2 4/20 0.77
▸ PTPN7 P35236 3/20 0.77
▸ GPR55 Q9Y2T6 2/20 0.77
▸ RAB9A P51151 3/20 0.77
▸ PSMD14 O00487 2/20 0.68
▸ MMP2 P08253 1/20 0.67
▸ MAPT P10636 3/20 0.66
▸ KDM4E B2RXH2 2/20 0.66
▸ GAA P10253 1/20 0.66
▸ APEX1 P27695 1/20 0.65
▸ RECQL P46063 1/20 0.65

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
SCHEMBL12008604 1.00 KMT2A (1.00) KMT2AMEN1CTDSP1BLMPOLB
SCHEMBL12008572 0.93 KMT2A (0.89) KMT2AMEN1CTDSP1BLMPOLB
SCHEMBL12008778 0.91 KMT2A (0.90) KMT2AMEN1CTDSP1BLMPOLB
SCHEMBL13446873 0.91 KMT2A (0.83) KMT2AMEN1CTDSP1BLMPOLB
SCHEMBL17319563 0.90 KMT2A (0.83) KMT2AMEN1CTDSP1BLMPOLB
SCHEMBL12008592 0.89 KMT2A (1.00) KMT2AMEN1CTDSP1BLMPOLB
SCHEMBL17319553 0.89 KMT2A (1.00) KMT2AMEN1CTDSP1BLMPOLB
SCHEMBL12008605 0.89 KMT2A (1.00) KMT2AMEN1CTDSP1BLMPOLB
SCHEMBL12008570 0.89 KMT2A (1.00) KMT2AMEN1CTDSP1BLMPOLB
SCHEMBL12008751 0.87 DDX3X (0.80) KMT2AMEN1CTDSP1BLMPOLB

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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