SCHEMBL29204840

SCHEMBL29204840

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 4/20 1.00
GAA P10253 2/20 0.52
TP53 P04637 2/20 0.52
ALDH1A1 P00352 4/20 0.52
SRPK1 Q96SB4 3/20 0.52
KDR P35968 1/20 0.52
SRPK2 P78362 1/20 0.52
SRPK3 Q9UPE1 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50
ERAP1 Q9NZ08 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
TTR P02766 1/20 0.47
CHRM2 P08172 1/20 0.47

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
SCHEMBL29204815 0.90 XPO1 (1.00) XPO1GAATP53ALDH1A1SRPK1
SCHEMBL29204842 0.89 XPO1 (0.80) XPO1GAATP53ALDH1A1SRPK1
SCHEMBL29204835 0.83 XPO1 (0.74) XPO1GAATP53ALDH1A1SRPK1
SCHEMBL29204817 0.83 XPO1 (0.80) XPO1GAATP53ALDH1A1SRPK1
SCHEMBL29204830 0.79 XPO1 (0.69) XPO1TP53ALDH1A1MEN1KMT2A
SCHEMBL30883143 0.79 XPO1 (0.69) XPO1TP53ALDH1A1MEN1KMT2A
SCHEMBL29204841 0.79 XPO1 (0.66) XPO1GAATP53ALDH1A1KMT2A
SCHEMBL29204804 0.78 XPO1 (0.80) XPO1GAATP53ALDH1A1SRPK1
SCHEMBL30883146 0.78 XPO1 (0.88) XPO1TP53ALDH1A1MEN1KMT2A
SCHEMBL29204805 0.78 XPO1 (0.88) XPO1TP53ALDH1A1MEN1KMT2A

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