SCHEMBL29204824

SCHEMBL29204824

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

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 4/20 0.61
KDM4E B2RXH2 1/20 0.58
WDR5 P61964 6/20 0.55
LMNA P02545 1/20 0.54
MAPT P10636 2/20 0.53
TP53 P04637 2/20 0.51
KMT2A Q03164 1/20 0.51
RBBP5 Q15291 1/20 0.51
ASH2L Q9UBL3 1/20 0.51
GAA P10253 1/20 0.50
KDR P35968 1/20 0.49
SRPK2 P78362 1/20 0.49
SRPK1 Q96SB4 1/20 0.49
SRPK3 Q9UPE1 1/20 0.49

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
SCHEMBL29204841 0.94 XPO1 (0.66) XPO1KDM4EWDR5LMNAMAPT
SCHEMBL29204810 0.92 XPO1 (0.70) XPO1KDM4EWDR5LMNAMAPT
SCHEMBL29204835 0.90 XPO1 (0.74) XPO1LMNAMAPTTP53KMT2A
SCHEMBL29204834 0.88 XPO1 (0.63) XPO1KDM4EWDR5LMNAMAPT
SCHEMBL29204842 0.84 XPO1 (0.80) XPO1KDM4EMAPTTP53KMT2A
SCHEMBL29204806 0.83 WDR5 (0.61) XPO1KDM4EWDR5LMNAMAPT
SCHEMBL29204803 0.82 SRPK1 (0.54) XPO1WDR5MAPTTP53KMT2A
SCHEMBL30883146 0.81 XPO1 (0.88) XPO1KDM4ELMNAMAPTTP53
SCHEMBL29204805 0.81 XPO1 (0.88) XPO1KDM4ELMNAMAPTTP53
SCHEMBL29204826 0.81 WDR5 (0.57) XPO1KDM4EWDR5LMNAMAPT

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