SCHEMBL9682064

SCHEMBL9682064

CCc1cc(NCc2nc(CC)c(C)cc2OC)c(=O)[nH]c1CO

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
KDM4E B2RXH2 4/20 0.34
APAF1 O14727 1/20 0.34
RECQL P46063 1/20 0.34
GAA P10253 2/20 0.34
CRHR1 P34998 1/20 0.33
SMPD3 Q9NY59 1/20 0.33
IDH1 O75874 6/20 0.32
PDE10A Q9Y233 4/20 0.32
P2RX7 Q99572 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
SCHEMBL9680359 0.92 MAPT (0.34) MAPTKDM4EAPAF1RECQLGAA
SCHEMBL9846203 0.87 PDE3B (0.38) MAPTKDM4EAPAF1RECQLGAA
SCHEMBL9680853 0.83 MAPT (0.38) MAPTKDM4EAPAF1RECQLGAA
SCHEMBL9681442 0.83 KDM4E (0.36) MAPTKDM4EAPAF1RECQLIDH1
SCHEMBL9681915 0.82 PDE10A (0.40) MAPTKDM4EAPAF1RECQLGAA
SCHEMBL9682084 0.82 MAPT (0.36) MAPTKDM4EAPAF1RECQLSMPD3
SCHEMBL9681383 0.82 NPC1 (0.34) MAPTKDM4EAPAF1RECQLP2RX7
SCHEMBL9846246 0.81 MAPT (0.34) MAPTKDM4EAPAF1RECQLGAA
SCHEMBL9682808 0.81 PDE10A (0.34) MAPTKDM4EAPAF1RECQLPDE10A
SCHEMBL9846298 0.78 PDE3B (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481802-A1 Hydroxylated inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1992-04-22 EP claimed
EP-0481802-A1 Hydroxylated inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1992-04-22 EP disclosed