SCHEMBL8076718

SCHEMBL8076718

CSc1ccc2c(SCc3ccc(N(CCO)CCOC(C)=O)cc3)ccnc2c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.37
PRNP P04156 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 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
SCHEMBL8084848 0.96 PRNP (0.37) BACE1PRNPRXFP1POLBKMT2A
SCHEMBL8076750 0.90 BACE1 (0.39) BACE1PRNPRXFP1POLBKMT2A
SCHEMBL8089824 0.79 PRNP (0.34) PRNPRXFP1POLBKMT2AKDM4E
SCHEMBL8076742 0.77 QPCT (0.41) PRNPRXFP1POLBKMT2AKDM4E
SCHEMBL8084787 0.72 KMT2A (0.39) PRNPRXFP1POLBKMT2AKDM4E
SCHEMBL8084735 0.70 ALDH1A1 (0.36) PRNPRXFP1POLBKMT2AKDM4E
SCHEMBL8084777 0.69 PRNP (0.34) PRNPRXFP1POLBKMT2AKDM4E
SCHEMBL8084411 0.69 KMT2A (0.37) PRNPRXFP1POLBKMT2AKDM4E
SCHEMBL8084912 0.67 CYP3A4 (0.33) PRNPRXFP1POLBKMT2AKDM4E
SCHEMBL8088277 0.67 PRNP (0.33) PRNPRXFP1POLBKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057447-A BACTERICIDES FOR CAMPYLOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-02 US disclosed
EP-0926139-A1 QUINOLINE SULFIDE DERIVATIVES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-06-30 EP disclosed