SCHEMBL8084133

SCHEMBL8084133

CSc1ccc2c(SCc3ccc(N4CCN(CC(C)(C)C)CC4)cc3)ccnc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.37
MAPKAPK2 P49137 1/20 0.36
GAA P10253 1/20 0.33
RAD52 P43351 2/20 0.32
MITF O75030 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAP4K1 Q92918 1/20 0.32
GFER P55789 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KHK P50053 3/20 0.32
HTR2A P28223 1/20 0.32
HTR6 P50406 1/20 0.32
CTSK P43235 2/20 0.31
CCR5 P51681 1/20 0.31

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
SCHEMBL8089831 0.87 MAPKAPK2 (0.48) MAPKAPK2GAARAD52MEN1KMT2A
SCHEMBL8088244 0.87 MAPKAPK2 (0.38) HTR7MAPKAPK2GAARAD52MEN1
SCHEMBL8084113 0.86 MAPKAPK2 (0.38) HTR7MAPKAPK2GAARAD52MEN1
SCHEMBL8089999 0.85 SLC2A1 (0.39) MAPKAPK2ALDH1A1NPSR1
SCHEMBL8088300 0.83 MAPKAPK2 (0.37) HTR7MAPKAPK2GAARAD52MITF
SCHEMBL8084729 0.76 SMN1; SMN2 (0.40) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8084787 0.76 KMT2A (0.39) MEN1KMT2AKDM4EALDH1A1RXFP1
SCHEMBL8076742 0.74 QPCT (0.41) GAAKMT2AKDM4EALDH1A1RXFP1
SCHEMBL8084411 0.72 KMT2A (0.37) MAPKAPK2MEN1KMT2AKDM4ERXFP1
SCHEMBL8089824 0.72 PRNP (0.34) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2

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