SCHEMBL30201729

SCHEMBL30201729

CC(C)(C)OC(=O)C1CCN(c2ccc(Br)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
L3MBTL1 Q9Y468 6/20 0.46
AKR1C3 P42330 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ABL1 P00519 1/20 0.45
LMNA P02545 1/20 0.45
GPR119 Q8TDV5 3/20 0.45
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PANK3 Q9H999 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL25074367 1.00 KMT2A (0.48) KMT2AL3MBTL1AKR1C3KDM4EABL1
SCHEMBL29592865 0.86 KDM4E (0.60) KMT2AL3MBTL1AKR1C3KDM4EABL1
SCHEMBL24312784 0.86 KDM4E (0.60) KMT2AL3MBTL1AKR1C3KDM4EABL1
SCHEMBL13009560 0.85 KDM4E (0.48) KMT2AL3MBTL1KDM4EABL1LMNA
SCHEMBL21427084 0.84 KDM4E (0.48) KMT2AL3MBTL1KDM4EABL1LMNA
SCHEMBL21679479 0.83 GPR119 (0.48) KDM4EGPR119PANK3ALDH1A1
SCHEMBL374689 0.82 USP30 (0.55) KMT2AL3MBTL1KDM4EGPR119MEN1
SCHEMBL24670864 0.82 PPARG (0.45) KMT2AL3MBTL1AKR1C3GPR119PPARG
SCHEMBL29990449 0.82 PPARG (0.45) KMT2AL3MBTL1AKR1C3GPR119PPARG
SCHEMBL3025692 0.82 CKS1B (0.60) AKR1C3GPR119PPARGPPARDPPARA

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
WO-2024222726-A1 DEGRADATION AGENT FOR CYCLIN-DEPENDENT KINASE (CDK) 12/13, COMPOSITION AND USE THEREOF 浙江大学 2024-10-31 WO disclosed
EP-4367118-A1 BIFUNCTIONAL DEGRADERS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND THERAPEUTIC USE THEREOF Nurix Therapeutics, Inc. (US) 2024-05-15 EP disclosed
WO-2023023255-A1 BIFUNCTIONAL DEGRADERS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND THERAPEUTIC USE THEREOF NURIX THERAPEUTICS, INC. (US) 2023-02-23 WO disclosed