SCHEMBL9846122

SCHEMBL9846122

CCc1cc(CNc2cc(C3CC3)c(C)[nH]c2=O)c(OC)nc1C

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.33
MAPT P10636 4/20 0.32
KDM4E B2RXH2 3/20 0.32
APAF1 O14727 1/20 0.32
RECQL P46063 1/20 0.32
GAA P10253 1/20 0.31
PDE9A O76083 2/20 0.30
IGF1R P08069 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK4 Q16654 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
ASPH Q12797 1/20 0.30
KDM8 Q8N371 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
SCHEMBL9333881 0.86 MAPT (0.35) MAPTKDM4EAPAF1RECQLGAA
SCHEMBL9251957 0.81 EZH2 (0.30) IGF1RALDH1A1RAB9APDK2PDK4
SCHEMBL9680284 0.79 PDE1A (0.32) MAPTKDM4EAPAF1RECQLGAA
SCHEMBL9680313 0.79 PDE1A (0.32) MAPTKDM4EAPAF1RECQLGAA
SCHEMBL9281981 0.78 MAPT (0.37) MAPTKDM4EAPAF1RECQLGAA
SCHEMBL9246249 0.78 MAPT (0.32) MAPTKDM4EAPAF1RECQLGAA
SCHEMBL9681299 0.78 MAPT (0.35) MAPTKDM4EAPAF1RECQLGAA
SCHEMBL9846283 0.78 MAPT (0.35) MAPTKDM4EAPAF1RECQLGAA
SCHEMBL9846154 0.75 MAPT (0.38) MAPTKDM4EAPAF1RECQLGAA
SCHEMBL9246243 0.73 PDE1A (0.32) 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-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP claimed
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed