SCHEMBL299345

SCHEMBL299345

CCOC(=O)c1sc(-c2cccc(OS(=O)(=O)C(F)(F)F)c2)nc1C

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CDC7 O00311 5/20 0.54
DBF4 Q9UBU7 5/20 0.54
TRPM8 Q7Z2W7 6/20 0.53
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.48
HSP90AA1 P07900 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
CYP2C9 P11712 1/20 0.46
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 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
SCHEMBL299586 0.87 CDC7 (0.61) MAPTMEN1KMT2ACDC7DBF4
SCHEMBL2881560 0.84 CDC7 (0.63) MAPTMEN1KMT2ACDC7DBF4
SCHEMBL15049533 0.82 TRPM8 (0.66) MAPTMEN1KMT2ACDC7DBF4
SCHEMBL1198591 0.81 MAPT (0.81) MAPTMEN1KMT2ACDC7DBF4
SCHEMBL4449310 0.81 XDH (0.55) MAPTMEN1KMT2ACDC7DBF4
SCHEMBL13117989 0.81 CDC7 (0.51) MAPTMEN1KMT2ACDC7DBF4
SCHEMBL6336462 0.81 CDC7 (0.61) MAPTMEN1KMT2ACDC7DBF4
SCHEMBL299564 0.80 CDC7 (0.53) MAPTMEN1KMT2ACDC7DBF4
SCHEMBL289301 0.80 LMNA (0.52) MAPTMEN1KMT2ACDC7DBF4
SCHEMBL12875919 0.80 CDC7 (0.66) MAPTMEN1KMT2ACDC7DBF4

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