SCHEMBL8774798

SCHEMBL8774798

CCc1ccc(-c2ccc(-c3cnc(F)c(F)c3)cc2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 10/20 0.40
ALOX5AP P20292 8/20 0.40
CHKA P35790 1/20 0.36
RARB P10826 1/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
USP7 Q93009 1/20 0.34
GRM2 Q14416 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL8774259 0.92 FEN1 (0.40) FEN1ALOX5APPDE3BPDE3AUSP7
SCHEMBL8774168 0.89 NPC1 (0.42) FEN1ALOX5APCHKARARB
SCHEMBL8774747 0.88 EGLN1 (0.42) EGLN1
SCHEMBL8775015 0.88 EGLN1 (0.42) EGLN1
SCHEMBL8774482 0.86 RARB (0.46) FEN1ALOX5APRARB
SCHEMBL8774382 0.85 RARB (0.51) RARB
SCHEMBL8774508 0.84 RARB (0.53) RARB
SCHEMBL8774834 0.84 RARB (0.53) RARB
SCHEMBL9156736 0.84 PDE3B (0.42) FEN1ALOX5APCHKARARBPDE3B
SCHEMBL19007861 0.82 CHKA (0.44) CHKARARBGRM2

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