SCHEMBL12698780

SCHEMBL12698780

NS(=O)(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(CCC(=O)O)C3=O)o2)cn1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HIF1AN Q9NWT6 1/20 0.68
▸ MAP3K5 Q99683 8/20 0.64
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ MCL1 Q07820 2/20 0.59
▸ PKM P14618 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ PTPN22 Q9Y2R2 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ POLB P06746 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ HPGD P15428 2/20 0.57
▸ PSMD14 O00487 1/20 0.57
▸ DNMT1 P26358 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL19064534 0.87 HIF1AN (0.76) HIF1ANMAP3K5MEN1KMT2AMCL1
SCHEMBL3904363 0.87 HIF1AN (0.76) HIF1ANMAP3K5MEN1KMT2AMCL1
SCHEMBL3904367 0.87 HIF1AN (0.76) HIF1ANMAP3K5MEN1KMT2AMCL1
SCHEMBL17297250 0.86 HIF1AN (0.72) HIF1ANMAP3K5MEN1KMT2AMCL1
SCHEMBL17297249 0.85 HIF1AN (0.69) HIF1ANMAP3K5MEN1KMT2AMCL1
SCHEMBL17296945 0.84 HIF1AN (0.68) HIF1ANMAP3K5MEN1KMT2AMCL1
SCHEMBL8290210 0.82 HIF1AN (0.83) HIF1ANMAP3K5MEN1KMT2AMCL1
SCHEMBL3905768 0.82 HIF1AN (0.83) HIF1ANMAP3K5MEN1KMT2AMCL1
SCHEMBL3905770 0.82 HIF1AN (0.83) HIF1ANMAP3K5MEN1KMT2AMCL1
SCHEMBL23433454 0.81 HIF1AN (0.81) HIF1ANMAP3K5MEN1KMT2AMCL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199918-B2 Small molecule inhibitors of AGBL2 GEORGETOWN UNIVERSITY (US) 2015-12-01 — — US disclosed
US-9199918-B2 Small molecule inhibitors of AGBL2 GEORGETOWN UNIVERSITY (US) 2015-12-01 — — US disclosed
WO-2012112567-A1 SMALL MOLECULE INHIBITORS OF AGBL2 GEORGETOWN UNIVERSITY (US) 2012-08-23 — — WO disclosed
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