SCHEMBL29208414

SCHEMBL29208414

CC(C)(C)OC(=O)NCCOCCOCCOCCNC(=O)CCCCn1ccnc1Cn1ccc2ccc(C#N)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 2/20 0.38
▸ CDK8 P49336 2/20 0.38
▸ PLK1 P53350 3/20 0.38
▸ KDM4E B2RXH2 5/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ TSHR P16473 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ BCHE P06276 1/20 0.34

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
SCHEMBL25423878 0.90 KDM4E (0.41) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL29208453 0.88 PLK1 (0.38) PLK1KDM4EMTNR1AMTNR1BMCL1
SCHEMBL29208419 0.87 KDM4E (0.38) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL29208415 0.86 CCNC (0.36) CCNCCDK8PLK1KDM4EALDH1A1
SCHEMBL25424623 0.79 ALDH1A1 (0.43) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL29208377 0.78 CCNC (0.40) CCNCCDK8KDM4EALDH1A1TSHR
SCHEMBL25426712 0.77 ALDH1A1 (0.45) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL24414605 0.77 KDM4E (0.47) CCNCCDK8KDM4EALDH1A1TSHR
SCHEMBL25427528 0.76 MTNR1A (0.37) MTNR1AMTNR1BMCL1MAPT
SCHEMBL29208352 0.75 KDM4E (0.38) 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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