SCHEMBL31233474

SCHEMBL31233474

CC(C)(C)OC(=O)N1CCN(C(=O)NC2(C#Cc3ccc(Cl)c(Cl)c3)CCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ STS P08842 4/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ GPR183 P32249 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ F13A1 P00488 1/20 0.37
▸ TGM2 P21980 1/20 0.37
▸ TGM1 P22735 1/20 0.37
▸ TGM3 Q08188 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ POLB P06746 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
SCHEMBL24090418 1.00 MEN1 (0.47) MEN1KMT2ASTSEPHX2MAPT
SCHEMBL21184043 0.96 MEN1 (0.46) MEN1KMT2ASTSEPHX2MAPT
SCHEMBL21177695 0.87 MEN1 (0.44) MEN1KMT2ASTSEPHX2MAPT
SCHEMBL21177822 0.87 EPHX2 (0.39) MEN1KMT2ASTSEPHX2GPR183
SCHEMBL21184035 0.86 MEN1 (0.43) MEN1KMT2ASTSEPHX2MAPT
SCHEMBL21177633 0.86 MEN1 (0.43) MEN1KMT2ASTSEPHX2MAPT
SCHEMBL21183961 0.83 MEN1 (0.41) MEN1KMT2ASTSEPHX2MAPT
SCHEMBL30354215 0.83 PYGL (0.36) KMT2A
SCHEMBL21183978 0.82 KMT2A (0.37) MEN1KMT2AMAPTGPR183SMN1; SMN2
SCHEMBL21184096 0.81 MEN1 (0.38) MEN1KMT2AEPHX2MAPTPOLB

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-118754861-A Substituted alkynylene compounds as anticancer agents 奥里吉恩肿瘤学有限公司 2024-10-11 — — CN disclosed
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