SCHEMBL9846192

SCHEMBL9846192

CCc1cc(CNc2cc(CC)c(C)[nH]c2=O)c(OCc2ccccc2)nc1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MPO P05164 1/20 0.35
IDH1 O75874 1/20 0.35
RECQL P46063 2/20 0.34
KDM4E B2RXH2 2/20 0.33
APAF1 O14727 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
PPARG P37231 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
SCHEMBL9333881 0.82 MAPT (0.35) HCAR2L3MBTL1MAPTLMNAIDH1
SCHEMBL9246249 0.75 MAPT (0.32) MAPTRECQLKDM4EAPAF1
SCHEMBL9281981 0.75 MAPT (0.37) HCAR2MAPTLMNAIDH1RECQL
SCHEMBL9846139 0.74 CYP2C9 (0.37) HCAR2MAPTNPSR1RECQLKDM4E
SCHEMBL9846230 0.74 BTK (0.41) MAPTPOLBMEN1KMT2AIDH1
SCHEMBL9432629 0.71 MEN1 (0.47) MAPTMEN1KMT2AKDM4E
SCHEMBL9681299 0.70 MAPT (0.35) HCAR2MAPTPOLBLMNAIDH1
SCHEMBL9846283 0.70 MAPT (0.35) MAPTPOLBLMNAIDH1RECQL
SCHEMBL9680313 0.70 PDE1A (0.32) MAPTRECQLKDM4EAPAF1
SCHEMBL9246243 0.70 PDE1A (0.32) MAPTRECQLKDM4EAPAF1

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