SCHEMBL12428877

SCHEMBL12428877

C=Cc1cnc(-c2ccc(-c3cc(F)c(CF)c(F)c3)c(F)c2)nc1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 11/20 0.35
ALOX5AP P20292 9/20 0.35

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
SCHEMBL12429712 0.99 FEN1 (0.38) FEN1ALOX5AP
SCHEMBL12429609 0.95 FEN1 (0.34) FEN1ALOX5AP
SCHEMBL12429730 0.88
SCHEMBL12429478 0.87
SCHEMBL12429550 0.83 FEN1 (0.37) FEN1ALOX5AP
SCHEMBL13439474 0.82 NPC1 (0.34)
SCHEMBL12428491 0.81 FEN1 (0.34) FEN1ALOX5AP
SCHEMBL12428174 0.80 HDAC1 (0.32)
SCHEMBL15782786 0.78 RAB9A (0.40) FEN1ALOX5AP
SCHEMBL12428565 0.77 HDAC1 (0.39) FEN1ALOX5AP

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-2351741-A1 PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING NITROGEN-CONTAINING HETEROCYCLIC RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-08-03 EP disclosed