SCHEMBL7213842

SCHEMBL7213842

CC(C)(C)OC(=O)NCc1cc2cc[nH]c2cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
F2 P00734 2/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
KDM4A O75164 1/20 0.42
CACNA1H O95180 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNA1C Q13936 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
BCHE P06276 1/20 0.39
CYP1A2 P05177 1/20 0.39
DYRK1A Q13627 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL3633138 0.80 KDM4A (0.54) L3MBTL1KDM4ABCHECYP1A2DYRK1A
SCHEMBL20762137 0.79 HDAC6 (0.57) HDAC6DYRK1AMAOB
SCHEMBL7214903 0.79 L3MBTL1 (0.49) L3MBTL1KDM4ACACNA1HMAPTTDP1
SCHEMBL29792562 0.79 L3MBTL1 (0.49) L3MBTL1KDM4ACACNA1HMAPTTDP1
SCHEMBL30097039 0.77 NAMPT (0.45) L3MBTL1KDM4ACACNA1HCACNA1BCACNA1C
SCHEMBL26143921 0.77 NAMPT (0.45) L3MBTL1KDM4ACACNA1HCACNA1BCACNA1C
SCHEMBL3346697 0.77 ABL1 (0.50) L3MBTL1F2JAK2JAK1TYK2
SCHEMBL12389613 0.77 JAK1 (0.46) L3MBTL1KDM4AJAK2JAK1TYK2
SCHEMBL30193348 0.76 NLRP3 (0.52) L3MBTL1KDM4AMAPTTDP1RECQL
SCHEMBL1615764 0.76 NLRP3 (0.52) L3MBTL1KDM4AMAPTTDP1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610692-B1 Anticoagulants MERCK & CO., INC. 2003-08-26 US disclosed
EP-1124822-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-04-03 EP disclosed
EP-1124822-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2001-08-22 EP disclosed
WO-2000026211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-05-11 WO disclosed