SCHEMBL299676

SCHEMBL299676

CCOC(=O)c1sc(-c2cccs2)nc1C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.72
ALDH1A1 P00352 3/20 0.72
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
HSP90AA1 P07900 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
GAA P10253 2/20 0.50
HPGD P15428 2/20 0.48
P2RY1 P47900 1/20 0.47
TRPM8 Q7Z2W7 3/20 0.46
LMNA P02545 1/20 0.46
CDC7 O00311 5/20 0.45
DBF4 Q9UBU7 5/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL290132 0.84 KDM4E (1.00) KDM4EALDH1A1KMT2AMAPTGAA
SCHEMBL5641718 0.81 CDC7 (0.68) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL300086 0.81 KDM4E (0.49) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL17291419 0.81 CDC7 (0.70) KDM4EKMT2AMEN1MAPTHSP90AA1
SCHEMBL8341363 0.81 MAPT (0.78) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL3666287 0.80 KDM4E (0.53) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL5640705 0.79 CDC7 (0.56) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL20181224 0.77 KDM4E (0.46) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL290062 0.77 JAK2 (0.46) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL24303679 0.77 MAPT (0.62) KDM4EKMT2AMEN1MAPTHSP90AA1

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