SCHEMBL8774761

SCHEMBL8774761

CCCCC1CCC(c2ccc(-c3cnc(F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.35
MEN1 O00255 3/20 0.35
MAPK1 P28482 3/20 0.35
KMT2A Q03164 3/20 0.35
ALOX5AP P20292 4/20 0.35
FEN1 P39748 4/20 0.35
FASN P49327 1/20 0.34
MAPT P10636 4/20 0.34
CYP2C9 P11712 4/20 0.34
TP53 P04637 3/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 2/20 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
SCHEMBL8774754 1.00 GAA (0.35) GAAMEN1MAPK1KMT2AALOX5AP
SCHEMBL8774739 0.97 MAPT (0.36) GAAMEN1MAPK1KMT2AALOX5AP
SCHEMBL8774734 0.97 MAPT (0.36) GAAMEN1MAPK1KMT2AALOX5AP
SCHEMBL8774418 0.96 MAPT (0.38) GAAMEN1MAPK1KMT2AALOX5AP
SCHEMBL8774865 0.96 MAPT (0.38) GAAMEN1MAPK1KMT2AALOX5AP
SCHEMBL8774385 0.96 MAPT (0.38) GAAMEN1MAPK1KMT2AALOX5AP
SCHEMBL8774377 0.96 MAPT (0.38) GAAMEN1MAPK1KMT2AALOX5AP
SCHEMBL8774852 0.96 MAPT (0.38) GAAMEN1MAPK1KMT2AALOX5AP
SCHEMBL8774411 0.96 MAPT (0.38) GAAMEN1MAPK1KMT2AALOX5AP
SCHEMBL8774493 0.93 CYP2C9 (0.40) MEN1MAPK1KMT2AALOX5APFEN1

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