SCHEMBL29208352

SCHEMBL29208352

CC(C)(C)OC(=O)NCCOCCOCCOCCNC(=O)c1ccc(Cn2ccc3ccc(C#N)cc32)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ TSHR P16473 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ EPHX2 P34913 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ BCHE P06276 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ PTGER4 P35408 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ P2RY14 Q15391 1/20 0.33
▸ SUCNR1 Q9BXA5 2/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ ABL1 P00519 1/20 0.32

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
SCHEMBL25426443 0.88 ALDH1A1 (0.43) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL29208497 0.86 SUCNR1 (0.35) EPHX2BCHECNR2P2RY14SUCNR1
SCHEMBL29208477 0.86 ALDH1A1 (0.40) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL29208377 0.81 CCNC (0.40) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL25423743 0.77 ALDH1A1 (0.46) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL24414605 0.76 KDM4E (0.47) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL29208414 0.75 CCNC (0.38) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL25424830 0.74 ALDH1A1 (0.49) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL29208475 0.74 ALDH1A1 (0.56) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL29208415 0.74 CCNC (0.36) KDM4EALDH1A1TSHRHSD17B10HPGD

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
CN-116391129-A Target binding assays for RAS proteins 普罗美加公司 2023-07-04 — — CN disclosed
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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