SCHEMBL29208377

SCHEMBL29208377

CC(C)(C)OC(=O)NCCOCCOCCOCCNC(=O)c1ccnc(Cn2ccc3ccc(C#N)cc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 3/20 0.40
▸ CDK8 P49336 3/20 0.40
▸ KDM4E B2RXH2 4/20 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
▸ PTGER4 P35408 1/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ACACB O00763 1/20 0.34
▸ ACACA Q13085 1/20 0.34
▸ SUCNR1 Q9BXA5 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ EGLN2 Q96KS0 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
SCHEMBL25425148 0.89 KDM4E (0.42) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL29208438 0.87 LOXL2 (0.38) ADORA2AADORA1ACACBACACA
SCHEMBL29208352 0.81 KDM4E (0.38) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL29208415 0.79 CCNC (0.36) CCNCCDK8KDM4EALDH1A1TSHR
SCHEMBL29208414 0.78 CCNC (0.38) CCNCCDK8KDM4EALDH1A1TSHR
SCHEMBL29587499 0.78 KDM5A (0.45) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL25424837 0.78 KDM5A (0.45) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL29208421 0.76 ALDH1A1 (0.41) CCNCCDK8KDM4EALDH1A1TSHR
SCHEMBL29208368 0.76 CCNC (0.42) CCNCCDK8KDM4EALDH1A1TSHR
SCHEMBL25425808 0.75 ALDH1A1 (0.47) 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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