SCHEMBL21781499

SCHEMBL21781499

CC1(C)OB(c2ccc(F)c(C3N=C(c4ccccc4)N=C(c4ccccc4)N3)c2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 6/20 0.41
LPL P06858 5/20 0.41
EGFR P00533 2/20 0.33
ROCK1 Q13464 1/20 0.33
DGAT1 O75907 1/20 0.30

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
SCHEMBL21781485 0.81 LIPG (0.52) LIPGLPLDGAT1
SCHEMBL20407029 0.81 LIPG (0.52) LIPGLPLDGAT1
SCHEMBL25651910 0.80 LPL (0.38) LIPGLPL
SCHEMBL20038797 0.78 LIPG (0.39) LIPGLPL
SCHEMBL22486473 0.78 LIPG (0.51) LIPGLPLDGAT1
SCHEMBL19774525 0.76 LIPG (0.40) LIPGLPL
SCHEMBL23075595 0.73 LPL (0.40) LIPGLPL
SCHEMBL27347792 0.72 LPL (0.31) LIPGLPL
SCHEMBL25720597 0.71 LPL (0.39) LIPGLPLDGAT1
SCHEMBL16189113 0.70 LPL (0.34) LIPGLPL

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-3617202-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2020-03-04 EP disclosed