SCHEMBL29204810

SCHEMBL29204810

COC(=O)c1ccc(N2CCN(c3cc(Cl)ccc3C)CC2)c(NC(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 2/20 0.70
KDM4E B2RXH2 1/20 0.64
LMNA P02545 1/20 0.58
MAPT P10636 2/20 0.58
WDR5 P61964 6/20 0.58
KMT2A Q03164 2/20 0.53
RBBP5 Q15291 1/20 0.53
ASH2L Q9UBL3 1/20 0.53
ALDH1A1 P00352 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
IDH2 P48735 1/20 0.50
HTT P42858 1/20 0.50
MCL1 Q07820 1/20 0.50

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
SCHEMBL29204834 0.94 XPO1 (0.63) XPO1KDM4ELMNAMAPTWDR5
SCHEMBL29204824 0.92 XPO1 (0.61) XPO1KDM4ELMNAMAPTWDR5
SCHEMBL29204806 0.90 WDR5 (0.61) XPO1KDM4ELMNAMAPTWDR5
SCHEMBL29204841 0.90 XPO1 (0.66) XPO1KDM4ELMNAMAPTWDR5
SCHEMBL29204805 0.89 XPO1 (0.88) XPO1KDM4ELMNAMAPTKMT2A
SCHEMBL30883146 0.89 XPO1 (0.88) XPO1KDM4ELMNAMAPTKMT2A
SCHEMBL29204826 0.88 WDR5 (0.57) XPO1KDM4ELMNAMAPTWDR5
SCHEMBL29204813 0.84 WDR5 (0.57) XPO1KDM4ELMNAMAPTWDR5
SCHEMBL30883139 0.83 XPO1 (0.77) XPO1KDM4ELMNAMAPTWDR5
SCHEMBL29204831 0.83 XPO1 (0.77) XPO1KDM4ELMNAMAPTWDR5

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-117964578-A Non-covalent CRM1 inhibitor and preparation method and application thereof 四川大学 2024-05-03 CN disclosed