SCHEMBL29204813

SCHEMBL29204813

COC(=O)c1ccc(N2CCNCC2)c(NC(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 6/20 0.57
XPO1 O14980 2/20 0.55
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 6/20 0.51
MEN1 O00255 3/20 0.51
RXFP1 Q9HBX9 1/20 0.51
RBBP5 Q15291 1/20 0.50
ASH2L Q9UBL3 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALOX15 P16050 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 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
SCHEMBL29204844 0.89 RXFP1 (0.56) WDR5XPO1ALDH1A1KMT2AMEN1
SCHEMBL29204803 0.87 SRPK1 (0.54) WDR5XPO1ALDH1A1KMT2AMEN1
SCHEMBL29204806 0.85 WDR5 (0.61) WDR5XPO1ALDH1A1KMT2AMEN1
SCHEMBL29204810 0.84 XPO1 (0.70) WDR5XPO1ALDH1A1KMT2ARXFP1
SCHEMBL7662821 0.84 NPC1 (0.53) WDR5ALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL29204826 0.84 WDR5 (0.57) WDR5XPO1ALDH1A1KMT2AMEN1
SCHEMBL4820469 0.80 KDM4E (0.55) WDR5ALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL29204841 0.79 XPO1 (0.66) WDR5XPO1ALDH1A1KMT2ARBBP5
SCHEMBL29204834 0.79 XPO1 (0.63) WDR5XPO1ALDH1A1KMT2ARXFP1
SCHEMBL29204824 0.77 XPO1 (0.61) WDR5XPO1KMT2ARBBP5ASH2L

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