SCHEMBL8310953

SCHEMBL8310953

CSCC1Nc2nc(Cl)ccc2NC1=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
XIAP P98170 1/20 0.32
BIRC2 Q13490 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
PGR P06401 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
SCHEMBL9109175 0.81 MAPT (0.35) MAPTKDM4EALDH1A1TDP1XIAP
SCHEMBL19736290 0.79 XIAP (0.33) MAPTKDM4EALDH1A1XIAPBIRC2
SCHEMBL19736194 0.79 XIAP (0.33) MAPTKDM4EALDH1A1XIAPBIRC2
SCHEMBL9414018 0.78
SCHEMBL16754393 0.78 ALDH1A1 (0.42) MAPTKDM4EALDH1A1XIAPBIRC2
SCHEMBL28380362 0.78 ALDH1A1 (0.42) MAPTKDM4EALDH1A1XIAPBIRC2
SCHEMBL28381212 0.78 ALDH1A1 (0.42) MAPTKDM4EALDH1A1XIAPBIRC2
SCHEMBL16238377 0.76 GAA (0.41) MAPTKDM4EALDH1A1XIAPBIRC2
SCHEMBL16238653 0.76 GAA (0.41) MAPTKDM4EALDH1A1XIAPBIRC2
SCHEMBL16238376 0.76 GAA (0.41) MAPTKDM4EALDH1A1XIAPBIRC2

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-0590428-B1 Azaquinoxalines, process for their preparation, and their use HOECHST AG (DE) 1999-12-15 EP disclosed
US-5424311-A A viricides for treating viral diseases; HIV enzyme inhibitor HOESCHST AKTIENGESELLSCHAFT (DE) 1995-06-13 US disclosed
EP-0590428-A1 Azaquinoxalines, process for their preparation, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-06 EP disclosed