SCHEMBL186142

SCHEMBL186142

CC(=O)Nc1ncc(OC(=O)O)s1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 12/20 0.47
CDK2 P24941 12/20 0.47
CDK4 P11802 5/20 0.47
CDK1 P06493 4/20 0.47
CCNE2 O96020 10/20 0.45
CCND1 P24385 4/20 0.45
CCNB2 O95067 3/20 0.45
CCNB1 P14635 3/20 0.45
CCNB3 Q8WWL7 3/20 0.45
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CDK5 Q00535 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL29160595 0.79 CDK2 (0.46) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL28352568 0.77 GAA (0.47) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL186141 0.74 HCAR2 (0.53) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL2175131 0.73 RAB9A (0.60) CCNE1CDK2CDK4CDK1POLB
SCHEMBL186168 0.73 HCAR2 (0.52)
Acetic Acid SCHEMBL5212685 0.72 CCNE1 (0.47) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL4522999 0.72 CCNE1 (0.59) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL13158536 0.72 CCNE1 (0.48) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL1350381 0.72 CCNE1 (0.48) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL1763394 0.72 CCNE1 (0.48) CCNE1CDK2CDK4CDK1CCNE2

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-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed