SCHEMBL5808098

SCHEMBL5808098

C#CC(CC)(CC)Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KCNH3 Q9ULD8 1/20 0.35
▸ SGMS2 Q8NHU3 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KCNN4 O15554 1/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CTSD P07339 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL6336580 0.72 CCNB2 (0.46) L3MBTL1KCNH3SGMS2TSHRMEN1
SCHEMBL14335707 0.72 TSHR (0.42) L3MBTL1TSHRNPSR1KCNN4HSD17B10
SCHEMBL11221104 0.72 TSHR (0.42) L3MBTL1TSHRNPSR1KCNN4HSD17B10
SCHEMBL11081209 0.70 TSHR (0.40) L3MBTL1TSHRNPSR1KCNN4HSD17B10
SCHEMBL583081 0.70 CCNE2 (0.44) L3MBTL1TSHRKMT2ANPSR1KCNN4
SCHEMBL5698837 0.69 GAA (0.43) KCNH3NPSR1ALDH1A1CYP2C19
SCHEMBL29278692 0.68 TDP1 (0.39) L3MBTL1TSHRNPSR1KCNN4HSD17B10
Ammonia Solution, Strong SCHEMBL9367371 0.68 TSHR (0.39) L3MBTL1PDE4ATSHRNPSR1KCNN4
Hydrochloric Acid SCHEMBL17710397 0.68 CCNE2 (0.42) L3MBTL1TSHRKMT2ANPSR1KCNN4
SCHEMBL9399546 0.68 GAA (0.41) TSHRKMT2ANPSR1HSD17B10CYP2C19

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
EP-1644325-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2006-04-12 — — EP disclosed
WO-2004113275-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2004-12-29 — — WO disclosed
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