SCHEMBL24779555

SCHEMBL24779555

COC(=O)c1nc(OC(C)C)c([N+](=O)[O-])cc1C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ PDGFRB P09619 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ FGFR3 P22607 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ VCAM1 P19320 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ PDK1 Q15118 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL24778749 0.83 PDGFRB (0.38) LMNAPDGFRBFGFR1PDGFRAFLT1
SCHEMBL30290991 0.83 PDGFRB (0.38) LMNAPDGFRBFGFR1PDGFRAFLT1
SCHEMBL24779889 0.79 PDGFRB (0.45) LMNAPDGFRBFGFR1PDGFRAFLT1
SCHEMBL19172750 0.77 PDK1 (0.38) ALDH1A1PDK1KMT2A
SCHEMBL4652294 0.77 MYC (0.46) LMNAVCAM1ALDH1A1PDK1MAPT
SCHEMBL19171753 0.74 PDK1 (0.36) LMNAALDH1A1PKMPDK1KMT2A
SCHEMBL15514790 0.73 POLB (0.43) LMNAPDGFRBFGFR1PDGFRAFLT1
SCHEMBL15440170 0.69 PDGFRB (0.45) LMNAPDGFRBFGFR1PDGFRAFLT1
SCHEMBL1560385 0.69 AR (0.58) LMNAVCAM1ALDH1A1PKMPDK1
SCHEMBL28317018 0.69 PDK1 (0.69) LMNAVCAM1ALDH1A1PDK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020522-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF IRAK-4 ARVINAS OPERATIONS, INC. (US) 2024-01-25 — — WO disclosed
WO-2022266258-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF IRAK-4 ARVINAS OPERATIONS, INC. (US) 2022-12-22 — — WO disclosed
Send feedback