SCHEMBL2659535

SCHEMBL2659535

CC1(C)OB(c2cccc(-c3ccncc3)c2F)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.37
LIPG Q9Y5X9 6/20 0.37
JAK2 O60674 2/20 0.33
BTK Q06187 2/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CD O00329 1/20 0.33
MAPK14 Q16539 3/20 0.32
LMNA P02545 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.31
GCK P35557 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL31401292 1.00 LPL (0.37) LPLLIPGJAK2BTKRAB9A
SCHEMBL20968600 0.86 LIPG (0.49) LPLLIPGJAK2BTK
SCHEMBL2659046 0.85 CYP17A1 (0.40) LPLLIPGBACE1GCKALDH1A1
SCHEMBL18059705 0.79 FEN1 (0.43) LPLLIPG
SCHEMBL24630498 0.79 LPL (0.46) LPLLIPGJAK2BTK
SCHEMBL2659000 0.77 KDM4E (0.35) LPLLIPGJAK2BTKRAB9A
SCHEMBL22040321 0.77 PDK2 (0.42) BTK
SCHEMBL2661309 0.77 LPL (0.37) LPLLIPGRAB9ANPC1MAPK14
SCHEMBL22040947 0.76 BRD4 (0.35) LPLLIPGJAK2BTKBACE1
SCHEMBL24842500 0.76 LPL (0.36) LPLLIPGJAK2BTK

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-2004043930-A1 QUINOLINE DERIVATIVES WHICH ENHANCE COGNITION VIA THE GABA-A RECEPTOR MERCK SHARP & DOHME LIMITED (GB) 2004-05-27 WO disclosed