SCHEMBL29197802

SCHEMBL29197802

CC(C)(C)OC(=O)N1CC=C(c2ccc([N+](=O)[O-])cc2)C(F)(F)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.52
▸ LMNA P02545 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ NR1D1 P20393 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ PTPN2 P17706 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ PTPN6 P29350 1/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ BCL2 P10415 1/20 0.34
▸ BECN1 Q14457 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
SCHEMBL31334845 0.84 ALDH1A1 (0.45) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL24881275 0.84 NR1H2 (0.42) ALDH1A1MAPTNAMPTPTPN2PTPN1
SCHEMBL31700808 0.82 PTPN2 (0.43) ALDH1A1MAPTNAMPTPTPN2PTPN1
SCHEMBL31510781 0.81 GPR119 (0.47) ALDH1A1MAPTHPGD
SCHEMBL31510694 0.78 GPR119 (0.38) NAMPTPTPN2PTPN1PTPN6HDAC2
SCHEMBL14617535 0.78 ALDH1A1 (0.57) ALDH1A1LMNAMAPTSMN1; SMN2NAMPT
SCHEMBL23783392 0.77 ALDH1A1 (0.45) ALDH1A1LMNAMAPTMAPK1
SCHEMBL30207477 0.77 ALDH1A1 (0.45) ALDH1A1LMNAMAPTMAPK1
SCHEMBL31342735 0.77 MEN1 (0.39) NAMPTPTPN2PTPN1PTPN6HDAC2
SCHEMBL31342565 0.77 HDAC2 (0.36) NAMPTPTPN2PTPN1PTPN6HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4367113-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS Biogen MA Inc. (US) 2024-05-15 — — EP disclosed
CN-117940414-A Compounds for targeting IRAK4 protein degradation 渤健马萨诸塞州股份有限公司 2024-04-26 — — CN disclosed
EP-4333899-A1 COMPOUNDS FOR TARGETING DEGRADATION OF BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2024-03-13 — — EP disclosed
CN-117580592-A Compounds for targeting bruton's tyrosine kinase degradation 渤健马萨诸塞州股份有限公司 2024-02-20 — — CN disclosed
WO-2023055952-A1 NEUROTROPHIC TYROSINE RECEPTOR KINASE (NTRK) DEGRADING COMPOUNDS C4 THERAPEUTICS, INC. (US) 2023-04-06 — — WO disclosed
WO-2023283610-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS BIOGEN MA INC. (US) 2023-01-12 — — WO disclosed
WO-2022235945-A1 COMPOUNDS FOR TARGETING DEGRADATION OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. (US) 2022-11-10 — — WO disclosed
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