Xylopine

Xylopine

SCHEMBL6686161

COc1ccc2c(c1)C[C@H]1NCCc3cc4c(c-2c31)OCO4

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 1.00
PTPRCAP Q14761 2/20 0.69
POLB P06746 4/20 0.68
KDM4E B2RXH2 3/20 0.68
KMT2A Q03164 3/20 0.68
LMNA P02545 2/20 0.68
MAPT P10636 2/20 0.68
ALDH1A1 P00352 1/20 0.68
HPGD P15428 1/20 0.68
HTT P42858 1/20 0.68
MCL1 Q07820 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
DYRK1A Q13627 2/20 0.68
ACHE P22303 1/20 0.64
RAD52 P43351 2/20 0.62
HTR2C P28335 4/20 0.47
DRD1 P21728 3/20 0.47
CASP6 P55212 2/20 0.46
TDP2 O95551 1/20 0.46

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
Xylopine SCHEMBL2595968 1.00 BCHE (1.00) BCHEPTPRCAPPOLBKDM4EKMT2A
SCHEMBL29390321 0.85 KDM4E (0.84) BCHEPTPRCAPPOLBKDM4EKMT2A
Anolobine SCHEMBL30637512 0.84 PTPRCAP (0.73) BCHEPTPRCAPPOLBKDM4EKMT2A
Anolobine SCHEMBL29393536 0.84 PTPRCAP (0.73) BCHEPTPRCAPPOLBKDM4EKMT2A
SCHEMBL31029804 0.83 PTPRCAP (0.76) BCHEPTPRCAPPOLBKDM4EKMT2A
Anonaine SCHEMBL15800852 0.82 PTPRCAP (1.00) BCHEPTPRCAPPOLBKDM4EKMT2A
Anonaine SCHEMBL30049091 0.82 PTPRCAP (1.00) BCHEPTPRCAPPOLBKDM4EKMT2A
Anonaine SCHEMBL15800856 0.82 PTPRCAP (1.00) BCHEPTPRCAPPOLBKDM4EKMT2A
Actinodaphnine SCHEMBL29596257 0.81 KDM4E (1.00) BCHEPTPRCAPPOLBKDM4EKMT2A
Actinodaphnine SCHEMBL674832 0.81 KDM4E (1.00) BCHEPTPRCAPPOLBKDM4EKMT2A

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
WO-2004084801-A2 TREATMENTS FOR LEISHMANIASIS SMITHSONIAN TROPICAL RESEARCH INSTITUTE (US) 2004-10-07 WO disclosed