SCHEMBL8774918

SCHEMBL8774918

CCCCCC1CCC(C(=O)Oc2cc(F)c(F)nc2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 1/20 0.36
CCR2 P41597 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.34
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL8774911 1.00 PKM (0.38) PKMKMT2AMEN1HTTMAPT
SCHEMBL8775023 0.97 PKM (0.36) PKMKMT2AMEN1HTTMAPT
SCHEMBL8775022 0.97 PKM (0.36) PKMKMT2AMEN1HTTMAPT
SCHEMBL8775027 0.97 PKM (0.36) PKMKMT2AMEN1HTTMAPT
SCHEMBL8774658 0.96 MAPT (0.39) PKMKMT2AMEN1HTTMAPT
SCHEMBL8774649 0.96 MAPT (0.39) PKMKMT2AMEN1HTTMAPT
SCHEMBL8775020 0.93 MAPT (0.37) PKMKMT2AMEN1HTTMAPT
SCHEMBL8775007 0.93 MAPT (0.37) PKMKMT2AMEN1HTTMAPT
SCHEMBL8775011 0.93 MAPT (0.37) PKMKMT2AMEN1HTTMAPT
SCHEMBL8774026 0.92 KMT2A (0.35) KMT2AMEN1HTTMAPTGAA

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-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed