SCHEMBL29204826

SCHEMBL29204826

COC(=O)c1ccc(N2CCN(c3cc(Cl)ccc3OC)CC2)c(NC(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 4/20 0.57
XPO1 O14980 2/20 0.55
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MAPK1 P28482 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
USP2 O75604 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 1/20 0.52
NPSR1 Q6W5P4 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 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
SCHEMBL30883141 0.92 XPO1 (0.66) XPO1HDAC1HDAC8HDAC6MAPK1
SCHEMBL29204829 0.92 XPO1 (0.66) XPO1HDAC1HDAC8HDAC6MAPK1
SCHEMBL29204806 0.89 WDR5 (0.61) WDR5XPO1MAPK1MEN1KMT2A
SCHEMBL29204810 0.88 XPO1 (0.70) WDR5XPO1KMT2AALDH1A1RXFP1
SCHEMBL29204813 0.84 WDR5 (0.57) WDR5XPO1MAPK1MEN1KMT2A
SCHEMBL29204834 0.82 XPO1 (0.63) WDR5XPO1KMT2AALDH1A1NPSR1
SCHEMBL29204824 0.81 XPO1 (0.61) WDR5XPO1KMT2ALMNAMAPT
SCHEMBL29204841 0.79 XPO1 (0.66) WDR5XPO1KMT2AALDH1A1LMNA
SCHEMBL8705195 0.77 HTR1D (0.70) MAPK1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL30883146 0.77 XPO1 (0.88) XPO1MAPK1MEN1KMT2AUSP2

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