SCHEMBL15469260

SCHEMBL15469260

CC(C)(C)Cc1cn(C(=O)CCc2ccccc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
F2 P00734 1/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ATM Q13315 1/20 0.40
KEAP1 Q14145 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
FKBP1A P62942 1/20 0.39
HTT P42858 1/20 0.39
TERT O14746 1/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL15469273 0.86 GRN (0.45) GRNSORT1F2ALDH1A1MEN1
SCHEMBL15473179 0.85 F2 (0.45) F2MAPK1NPC1RAB9ATDP1
SCHEMBL16281027 0.71 HSD11B1 (0.43) ALDH1A1MEN1KMT2AL3MBTL1BCHE
SCHEMBL1691046 0.70 GRN (0.47) GRNSORT1NPC1RAB9APOLB
SCHEMBL2425483 0.68 TDP1 (0.58) F2MAPK1NPC1TDP1POLB
SCHEMBL1260766 0.67 TBXAS1 (0.50) F2MAPK1NPC1TDP1POLB
SCHEMBL10405989 0.65 FAAH (0.44) ALDH1A1LMNA
SCHEMBL27925098 0.65 FFAR1 (0.59) ALDH1A1KEAP1L3MBTL1LMNA
SCHEMBL2503881 0.64 SLC7A5 (0.51) CYP1A2
SCHEMBL2507561 0.64 SLC7A5 (0.51) CYP1A2

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
US-8907045-B2 Biocompatible adhesive polymers EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-12-09 US disclosed
US-20140041802-A1 BIOCOMPATIBLE ADHESIVE POLYMERS EMPIRE TECHNOLOGY DEVELOPMENT LLC 2014-02-13 US disclosed