SCHEMBL30883142

SCHEMBL30883142

Cc1ccc(C)c(N2CCN(c3ccc(C(=O)O)cc3NC(=O)c3ccc(Cl)cc3)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 4/20 1.00
TP53 P04637 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 4/20 0.53
POLB P06746 3/20 0.53
ALDH1A1 P00352 2/20 0.50
IDH2 P48735 1/20 0.50
NPC1 O15118 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL29204833 1.00 XPO1 (1.00) XPO1TP53MEN1KMT2ALMNA
SCHEMBL29204805 0.93 XPO1 (0.88) XPO1TP53MEN1KMT2ALMNA
SCHEMBL30883146 0.93 XPO1 (0.88) XPO1TP53MEN1KMT2ALMNA
SCHEMBL29204842 0.88 XPO1 (0.80) XPO1TP53MEN1KMT2AMAPT
SCHEMBL30883139 0.87 XPO1 (0.77) XPO1TP53MEN1KMT2ALMNA
SCHEMBL29204831 0.87 XPO1 (0.77) XPO1TP53MEN1KMT2ALMNA
SCHEMBL29204835 0.85 XPO1 (0.74) XPO1TP53MEN1KMT2ALMNA
SCHEMBL29204810 0.83 XPO1 (0.70) XPO1KMT2ALMNAMAPTALDH1A1
SCHEMBL30883143 0.82 XPO1 (0.69) XPO1TP53MEN1KMT2ALMNA
SCHEMBL29204830 0.82 XPO1 (0.69) XPO1TP53MEN1KMT2ALMNA

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