SCHEMBL28967219

SCHEMBL28967219

Cc1cc(Br)c(Cl)c(OCC(CCC(N)=O)OC(=O)NC(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ AAK1 Q2M2I8 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ PTGER1 P34995 3/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL23833248 0.80 AAK1 (0.50) AAK1ALDH1A1SMN1; SMN2PTGER1MAPK1
SCHEMBL23833250 0.80 AAK1 (0.50) AAK1ALDH1A1SMN1; SMN2PTGER1MAPK1
SCHEMBL30193038 0.80 AAK1 (0.50) AAK1ALDH1A1SMN1; SMN2PTGER1MAPK1
SCHEMBL27015309 0.78 PTGER1 (0.34) KDM4EALDH1A1SMN1; SMN2PTGER1
SCHEMBL27146597 0.77 AAK1 (0.34) KDM4EAAK1ALDH1A1SMN1; SMN2
SCHEMBL27008149 0.77 AAK1 (0.34) KDM4EAAK1ALDH1A1SMN1; SMN2
SCHEMBL30169241 0.69 AAK1 (0.47) AAK1PTGER1
SCHEMBL23833065 0.69 AAK1 (0.47) AAK1PTGER1
SCHEMBL22526458 0.69 AAK1 (0.47) AAK1PTGER1
SCHEMBL28967220 0.68 AAK1 (0.48) AAK1ALDH1A1PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115776891-A STAT degradants and uses thereof 凯麦拉医疗公司 2023-03-10 — — CN disclosed
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