SCHEMBL8774259

SCHEMBL8774259

CCc1ccc(-c2cnc(F)c(F)c2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 11/20 0.40
ALOX5AP P20292 8/20 0.40
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP7 Q93009 1/20 0.34
GRIN2B Q13224 2/20 0.33
GRIN1 Q05586 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
SCHEMBL8774798 0.92 FEN1 (0.40) FEN1ALOX5APPDE3BPDE3AUSP7
SCHEMBL8774652 0.88 NPC1 (0.42) FEN1ALOX5APNPC1RAB9ASMN1; SMN2
SCHEMBL8774684 0.85 RARB (0.43) FEN1ALOX5APNPC1ALDH1A1LMNA
SCHEMBL8774371 0.84 RARB (0.48) NPC1ALDH1A1MAPTMAPK1RAB9A
SCHEMBL8774727 0.83 RARB (0.50) NPC1ALDH1A1LMNAMAPTRAB9A
SCHEMBL8774991 0.83 RARB (0.50) NPC1ALDH1A1LMNAMAPTRAB9A
SCHEMBL8775015 0.81 EGLN1 (0.42) NPC1LMNARAB9ASMN1; SMN2GRIN2B
SCHEMBL8774747 0.81 EGLN1 (0.42) NPC1LMNARAB9ASMN1; SMN2GRIN2B
SCHEMBL8774168 0.81 NPC1 (0.42) FEN1ALOX5APNPC1RAB9ASMN1; SMN2
SCHEMBL9158263 0.81 PDE3B (0.47) FEN1ALOX5APPDE3BPDE3AUSP7

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