SCHEMBL289301

SCHEMBL289301

CCOC(=O)c1sc(-c2ccccc2OS(=O)(=O)C(F)(F)F)nc1C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 4/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
CYP2C9 P11712 1/20 0.49
CDC7 O00311 3/20 0.49
DBF4 Q9UBU7 3/20 0.49
NPC1 O15118 4/20 0.47
HPGD P15428 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
TRPM8 Q7Z2W7 2/20 0.47
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 1/20 0.44
PKM P14618 1/20 0.44
KCNH2 Q12809 1/20 0.44
APOBEC3G Q9HC16 1/20 0.43

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
SCHEMBL10997300 0.82 LMNA (0.60) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL299586 0.81 CDC7 (0.61) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL299345 0.80 MAPT (0.56) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL299133 0.79 LMNA (0.63) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL13117989 0.77 CDC7 (0.51) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL1982226 0.77 CDC7 (0.48) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL2185567 0.77 CDC7 (0.48) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL4449310 0.77 XDH (0.55) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL299564 0.77 CDC7 (0.53) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL6336462 0.77 CDC7 (0.61) ALDH1A1KDM4EMEN1KMT2ACDC7

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