SCHEMBL9846283

SCHEMBL9846283

CCc1cc(CNc2cc(CC)c(CN)[nH]c2=O)c(OC)nc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.35
KDM4E B2RXH2 7/20 0.35
APAF1 O14727 2/20 0.35
RECQL P46063 1/20 0.35
GAA P10253 6/20 0.35
IDH1 O75874 4/20 0.32
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
LMNA P02545 1/20 0.31
HIF1A Q16665 1/20 0.31
POLB P06746 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
SCHEMBL9681299 0.89 MAPT (0.35) MAPTKDM4EAPAF1RECQLGAA
SCHEMBL9333881 0.86 MAPT (0.35) MAPTKDM4EAPAF1RECQLGAA
SCHEMBL9681421 0.81 MAPT (0.37) MAPTKDM4EAPAF1RECQLGAA
SCHEMBL9246249 0.78 MAPT (0.32) MAPTKDM4EAPAF1RECQLGAA
SCHEMBL9846246 0.78 MAPT (0.34) MAPTKDM4EAPAF1RECQLGAA
SCHEMBL9281981 0.78 MAPT (0.37) MAPTKDM4EAPAF1RECQLGAA
SCHEMBL9846236 0.78 MAPT (0.38) MAPTKDM4EAPAF1RECQLGAA
SCHEMBL9680313 0.78 PDE1A (0.32) MAPTKDM4EAPAF1RECQLGAA
SCHEMBL9680284 0.78 PDE1A (0.32) MAPTKDM4EAPAF1RECQLGAA
SCHEMBL9846122 0.78 KDM4C (0.33) MAPTKDM4EAPAF1RECQLGAA

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
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed