SCHEMBL17319553

SCHEMBL17319553

O=C(CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)Nc1ccc(C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 15/20 1.00
▸ MEN1 O00255 14/20 1.00
▸ CTDSP1 Q9GZU7 7/20 1.00
▸ TDP1 Q9NUW8 8/20 0.83
▸ POLB P06746 8/20 0.83
▸ BLM P54132 4/20 0.80
▸ SAE1 Q9UBE0 2/20 0.79
▸ UBA2 Q9UBT2 2/20 0.79
▸ PSMD14 O00487 2/20 0.79
▸ CACNA1B Q00975 2/20 0.75
▸ APBA1 Q02410 2/20 0.75
▸ PTPN7 P35236 4/20 0.74
▸ PTPN12 Q05209 4/20 0.74
▸ PTPN22 Q9Y2R2 4/20 0.74
▸ GPR35 Q9HC97 3/20 0.74
▸ APAF1 O14727 1/20 0.73
▸ GPR55 Q9Y2T6 2/20 0.71
▸ RAB9A P51151 1/20 0.71
▸ NPC1 O15118 2/20 0.66
▸ MMP2 P08253 1/20 0.64

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
SCHEMBL12008605 1.00 KMT2A (1.00) KMT2AMEN1CTDSP1TDP1POLB
SCHEMBL17319563 0.91 KMT2A (0.83) KMT2AMEN1CTDSP1TDP1POLB
SCHEMBL12008423 0.91 KMT2A (1.00) KMT2AMEN1CTDSP1TDP1POLB
SCHEMBL12008780 0.90 KMT2A (0.83) KMT2AMEN1CTDSP1TDP1POLB
SCHEMBL17319549 0.89 KMT2A (1.00) KMT2AMEN1CTDSP1TDP1POLB
SCHEMBL12008604 0.89 KMT2A (1.00) KMT2AMEN1CTDSP1TDP1POLB
SCHEMBL12008585 0.89 KMT2A (1.00) KMT2AMEN1CTDSP1TDP1POLB
SCHEMBL17319544 0.89 KMT2A (1.00) KMT2AMEN1CTDSP1TDP1POLB
SCHEMBL12008569 0.88 KMT2A (1.00) KMT2AMEN1CTDSP1TDP1POLB
SCHEMBL18545509 0.87 KMT2A (0.78) KMT2AMEN1CTDSP1TDP1POLB

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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