SCHEMBL299483

SCHEMBL299483

CCOC(=O)c1sc(-c2ccc(Br)s2)nc1C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
DHODH Q02127 3/20 0.49
CDC7 O00311 9/20 0.47
DBF4 Q9UBU7 9/20 0.47
KDM4E B2RXH2 2/20 0.47
TRPM8 Q7Z2W7 4/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CRHBP P24387 1/20 0.45
KMT2A Q03164 1/20 0.45
CRHR2 Q13324 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL300086 0.89 KDM4E (0.49) ALDH1A1HPGDCDC7DBF4KDM4E
SCHEMBL289847 0.85 KDM4E (0.64) ALDH1A1HPGDDHODHCDC7DBF4
SCHEMBL13064837 0.77 ALDH1A1 (0.46) ALDH1A1HPGDDHODHCDC7DBF4
SCHEMBL4471162 0.76 MAPT (0.76) ALDH1A1HPGDDHODHCDC7DBF4
SCHEMBL298659 0.74 CDC7 (0.61) ALDH1A1HPGDCDC7DBF4MAPT
SCHEMBL10242354 0.74 ALDH1A1 (0.72) ALDH1A1HPGDDHODHCDC7DBF4
SCHEMBL24303679 0.73 MAPT (0.62) DHODHCDC7DBF4KDM4ETRPM8
SCHEMBL3827647 0.72 KDM4E (0.69) ALDH1A1HPGDDHODHCDC7DBF4
SCHEMBL10820916 0.72 ALDH1A1 (0.68) ALDH1A1HPGDDHODHCDC7DBF4
SCHEMBL289519 0.72 ALDH1A1 (1.00) ALDH1A1HPGDDHODHCDC7DBF4

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-2427447-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP disclosed
WO-2010128163-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 WO disclosed