SCHEMBL30883141

SCHEMBL30883141

COc1ccc(Cl)cc1N1CCN(c2ccc(C(=O)O)cc2NC(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 2/20 0.66
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPK1 P28482 2/20 0.53
USP2 O75604 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TP53 P04637 1/20 0.52
NPSR1 Q6W5P4 3/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.49
MCL1 Q07820 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 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
SCHEMBL29204829 1.00 XPO1 (0.66) XPO1HDAC1HDAC8HDAC6MEN1
SCHEMBL29204826 0.92 WDR5 (0.57) XPO1HDAC1HDAC8HDAC6MEN1
SCHEMBL30883146 0.86 XPO1 (0.88) XPO1MEN1KMT2AMAPK1USP2
SCHEMBL29204805 0.86 XPO1 (0.88) XPO1MEN1KMT2AMAPK1USP2
SCHEMBL29204830 0.85 XPO1 (0.69) XPO1HDAC1HDAC8HDAC6MEN1
SCHEMBL30883143 0.85 XPO1 (0.69) XPO1HDAC1HDAC8HDAC6MEN1
SCHEMBL29204806 0.81 WDR5 (0.61) XPO1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL30883139 0.80 XPO1 (0.77) XPO1MEN1KMT2AUSP2TP53
SCHEMBL29204831 0.80 XPO1 (0.77) XPO1MEN1KMT2AUSP2TP53
4-Chloro-Benzoic Acid SCHEMBL9035256 0.80 HTR1D (0.66) MEN1KMT2AMAPK1SMN1; SMN2TP53

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