SCHEMBL9846236

SCHEMBL9846236

CCc1cc(NCc2cc(C)c(C)cc2OC)c(=O)[nH]c1CN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.38
GAA P10253 5/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 4/20 0.37
APAF1 O14727 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
IDH1 O75874 6/20 0.35
TAAR1 Q96RJ0 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
CASP1 P29466 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL9680853 0.88 MAPT (0.38) MAPTGAALMNATSHRMAPK1
SCHEMBL9168694 0.85 PDE3B (0.42) MAPTGAALMNATSHRMAPK1
SCHEMBL9846318 0.84 MAPT (0.38) MAPTGAALMNATSHRMAPK1
SCHEMBL9846246 0.83 MAPT (0.34) MAPTGAAKDM4EAPAF1RECQL
SCHEMBL9846165 0.79 PDE3B (0.41) MAPTGAALMNATSHRMAPK1
SCHEMBL9846283 0.78 MAPT (0.35) MAPTGAALMNAMAPK1KDM4E
SCHEMBL9680861 0.73 SLC2A1 (0.38) MAPTGAALMNATSHRMAPK1
SCHEMBL9681773 0.72 MAPT (0.38) MAPTGAALMNATSHRMAPK1
SCHEMBL9682064 0.72 MAPT (0.34) MAPTGAAKDM4EAPAF1RECQL
SCHEMBL9680359 0.72 MAPT (0.34) MAPTGAAKDM4EAPAF1RECQL

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