SCHEMBL29587490

SCHEMBL29587490

CC(C)(C)OC(=O)NCc1cccc(Cn2ccc3ccc(C#N)cc32)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ KDM4E B2RXH2 4/20 0.56
▸ TSHR P16473 4/20 0.56
▸ HSD17B10 Q99714 4/20 0.56
▸ HPGD P15428 3/20 0.56
▸ GLA P06280 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ IDO1 P14902 1/20 0.44
▸ USP2 O75604 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ BRD9 Q9H8M2 1/20 0.41
▸ BAZ2B Q9UIF8 1/20 0.41
▸ BAZ2A Q9UIF9 1/20 0.41
▸ GLS O94925 2/20 0.40
▸ BRD4 O60885 2/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ TAS2R8 Q9NYW2 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ROCK2 O75116 1/20 0.39

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
SCHEMBL29208381 1.00 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29208475 0.91 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL25426301 0.85 ALDH1A1 (0.66) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29208492 0.84 BRD9 (0.44) BRD9BAZ2BBAZ2AGLSBRD4
SCHEMBL29588065 0.84 BRD9 (0.44) BRD9BAZ2BBAZ2AGLSBRD4
SCHEMBL352314 0.80 ERCC1 (0.52) GLSBRD4ROCK2CTSBCTSS
SCHEMBL24414605 0.79 KDM4E (0.47) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29208441 0.76 ALDH1A1 (0.51) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29208400 0.76 HDAC8 (0.47) BRD9BAZ2BBAZ2ABRD4HDAC10
SCHEMBL25427265 0.75 ALDH1A1 (0.67) ALDH1A1KDM4ETSHRHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220064696-A1 TARGET ENGAGEMENT ASSAY FOR RAS PROTEINS PROMEGA CORPORATION (US) 2022-03-03 — — US disclosed
WO-2022047186-A1 TARGET ENGAGEMENT ASSAY FOR RAS PROTEINS PROMEGA CORPORATION (US) 2022-03-03 — — WO disclosed
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