SCHEMBL8593141

SCHEMBL8593141

O=C(O)CCN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S

nearest known ligand 0.89

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 9/20 0.89
HIF1AN Q9NWT6 1/20 0.81
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
MCL1 Q07820 2/20 0.70
PKM P14618 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
STAT3 P40763 1/20 0.63
ALDH1A1 P00352 2/20 0.61
POLB P06746 2/20 0.61
MAPT P10636 2/20 0.61
HPGD P15428 2/20 0.61
PSMD14 O00487 1/20 0.61
DNMT1 P26358 1/20 0.61
HTT P42858 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
PTPN22 Q9Y2R2 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
SCHEMBL3901649 1.00 MAP3K5 (0.89) MAP3K5HIF1ANMEN1KMT2AMCL1
SCHEMBL3901648 1.00 MAP3K5 (0.89) MAP3K5HIF1ANMEN1KMT2AMCL1
SCHEMBL14860803 0.91 MAP3K5 (0.77) MAP3K5HIF1ANMEN1KMT2AMCL1
SCHEMBL14867586 0.91 MAP3K5 (0.77) MAP3K5HIF1ANMEN1KMT2AMCL1
SCHEMBL14860805 0.91 MAP3K5 (0.77) MAP3K5HIF1ANMEN1KMT2AMCL1
SCHEMBL8290210 0.91 HIF1AN (0.83) MAP3K5HIF1ANMEN1KMT2AMCL1
SCHEMBL3905770 0.91 HIF1AN (0.83) MAP3K5HIF1ANMEN1KMT2AMCL1
SCHEMBL3905768 0.91 HIF1AN (0.83) MAP3K5HIF1ANMEN1KMT2AMCL1
SCHEMBL23433501 0.90 HIF1AN (0.81) MAP3K5HIF1ANMEN1KMT2AMCL1
Claficapavir SCHEMBL6789043 0.90 HIF1AN (1.00) MAP3K5HIF1ANMEN1KMT2AMCL1

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
WO-1998053790-A2 COMPOUNDS THAT INHIBIT THE BINDING OF VASCULAR ENDOTHELIAL GROWTH FACTOR TO ITS RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-12-03 WO disclosed