SCHEMBL6167205

SCHEMBL6167205

CC(=O)NC(=O)OCc1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1Cc1ccncc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.34
P2RX3 P56373 7/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6161001 0.95 ENPP2 (0.35) ENPP2P2RX3MEN1KMT2AAAK1
SCHEMBL6965855 0.91 ENPP2 (0.33) ENPP2P2RX3
SCHEMBL6961504 0.91 ENPP2 (0.35) ENPP2P2RX3MEN1KMT2AAAK1
SCHEMBL597334 0.91 P2RX3 (0.33) ENPP2P2RX3MEN1KMT2AKDM4E
SCHEMBL5852655 0.90 P2RX3 (0.33) ENPP2P2RX3MEN1KMT2AKDM4E
SCHEMBL6159794 0.88 PPARG (0.33) ENPP2P2RX3ALDH1A1L3MBTL1
SCHEMBL6160633 0.88 PPARG (0.33) ENPP2P2RX3ALDH1A1L3MBTL1
SCHEMBL6161870 0.88 PPARG (0.33) ENPP2P2RX3ALDH1A1L3MBTL1
Capravirine SCHEMBL40347 0.87 PIM1 (0.35) ENPP2P2RX3MEN1KMT2AKDM4E
Capravirine SCHEMBL4656686 0.87 PIM1 (0.35) ENPP2P2RX3MEN1KMT2AKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0893442-B1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO (JP) 2005-01-12 EP disclosed
US-6054591-A LYMPHOTROPIC ANTI-AIDS AGENT SHIONOGI & CO., LTD. (JP) 2000-04-25 US disclosed
EP-0893442-A1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-01-27 EP disclosed