SCHEMBL5148048

SCHEMBL5148048

CCCC(N)C(=O)Nc1ccc(CCC(C)=O)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SPHK1 Q9NYA1 5/20 0.41
▸ TSHR P16473 3/20 0.41
▸ SPHK2 Q9NRA0 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ S1PR1 P21453 3/20 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
SCHEMBL5140060 0.77 CTSK (0.44) L3MBTL1MAPK1GAAMAPTTSHR
SCHEMBL5040612 0.75 LNPEP (0.51) L3MBTL1MAPK1TSHRLMNA
SCHEMBL4550164 0.72 PTK2 (0.57) L3MBTL1MAPK1GAAMAPTTSHR
SCHEMBL7418597 0.72 POLB (0.55) GAASMN1; SMN2S1PR1S1PR3LMNA
SCHEMBL15986674 0.71 DEGS1 (0.49) L3MBTL1MAPK1MAPTTSHRSMN1; SMN2
SCHEMBL658985 0.69 P4HTM (0.55) L3MBTL1GAAMAPTTSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL5041130 0.69 GAA (0.53) L3MBTL1MAPK1GAAMAPTTSHR
SCHEMBL5044998 0.68 GABRP (0.56) MAPTSMN1; SMN2LMNA
SCHEMBL2619352 0.67 HSD17B10 (0.55) L3MBTL1MAPK1GAAMAPTTSHR
SCHEMBL31267203 0.67 HSD17B10 (0.51) GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 — — EP disclosed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 — — EP disclosed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 — — WO disclosed
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