SCHEMBL17486197

SCHEMBL17486197

CCc1cc2c(cc1-c1ccc(-c3nc(-c4cccc5c4sc4ccccc45)nc(-c4cccc5c4sc4ccccc45)n3)cn1)C(C)(C)C(C)(C)C2(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
PARP14 Q460N5 1/20 0.32
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL17486238 0.88 ALOX5 (0.39) ALOX5L3MBTL1BACE1BACE2PARP14
SCHEMBL17485966 0.83 ALOX5 (0.36) ALOX5L3MBTL1BACE1BACE2PARP14
SCHEMBL17486348 0.81 MEN1 (0.35) L3MBTL1ALOX5APFEN1
SCHEMBL17486349 0.77 KDM4E (0.37)
SCHEMBL17486208 0.77 MEN1 (0.34)
SCHEMBL17486350 0.76 CYP2A6 (0.39)
SCHEMBL17486353 0.75 SMN1; SMN2 (0.35)
SCHEMBL17486354 0.74 CYP1A2 (0.41) ALOX5APFEN1
SCHEMBL17486352 0.73 DGAT1 (0.32)
SCHEMBL17486234 0.72 S1PR1 (0.37) L3MBTL1

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
WO-2016015815-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-02-04 WO disclosed