SCHEMBL289583

SCHEMBL289583

CCOC(=O)c1sc(-c2ccc(-c3ccc(C(F)(F)F)cc3)s2)nc1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.65
MAPT P10636 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
HSP90AA1 P07900 1/20 0.65
CRHBP P24387 1/20 0.65
CRHR2 Q13324 1/20 0.65
ALDH1A1 P00352 3/20 0.59
CDC7 O00311 4/20 0.58
DBF4 Q9UBU7 4/20 0.58
NPC1 O15118 1/20 0.55
GAA P10253 1/20 0.55
LMNA P02545 1/20 0.49
DHODH Q02127 1/20 0.48
TRPM8 Q7Z2W7 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
PPARA Q07869 3/20 0.45
NR1H4 Q96RI1 1/20 0.45
HTT P42858 1/20 0.45
PPARG P37231 1/20 0.45

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
SCHEMBL290128 0.90 MAPT (0.69) KDM4EMAPTMEN1KMT2AHSP90AA1
SCHEMBL2886858 0.89 MAPT (0.80) KDM4EMAPTMEN1KMT2AHSP90AA1
SCHEMBL289893 0.88 KDM4E (0.55) KDM4EMAPTMEN1KMT2AHSP90AA1
SCHEMBL289746 0.87 TRPM8 (0.62) KDM4EMAPTMEN1KMT2AHSP90AA1
SCHEMBL290675 0.87 KDM4E (0.62) KDM4EMAPTMEN1KMT2AHSP90AA1
SCHEMBL289730 0.86 CDC7 (0.79) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL290306 0.85 ALDH1A1 (0.59) KDM4EMAPTMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL289729 0.85 CDC7 (0.77) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289156 0.84 ALDH1A1 (0.65) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL290101 0.83 ALDH1A1 (0.64) KDM4EMAPTMEN1KMT2AALDH1A1

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