SCHEMBL289029

SCHEMBL289029

Cc1[c]sc(-c2ccc(-c3ccccc3OC(F)(F)F)s2)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
SCN9A Q15858 6/20 0.40
HSD11B1 P28845 1/20 0.39
PDE2A O00408 1/20 0.38
PDE10A Q9Y233 1/20 0.38
S1PR1 P21453 5/20 0.37
HDAC6 Q9UBN7 1/20 0.36
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TRPA1 O75762 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MPL P40238 1/20 0.34
ABL1 P00519 1/20 0.33

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
SCHEMBL290136 0.74 SMN1; SMN2 (0.50) SCN9AHDAC6POLBNPSR1CYP2C9
SCHEMBL25093294 0.71 APP (0.47) APPSCN9AHSD11B1S1PR1HDAC6
SCHEMBL289570 0.71 ALDH1A1 (0.55) SCN9ACYP2C9ALDH1A1
SCHEMBL13064837 0.69 ALDH1A1 (0.46) SCN9AALDH1A1
SCHEMBL4035686 0.66 HDAC6 (0.42) APPSCN9AHSD11B1HDAC6POLB
SCHEMBL289855 0.66 MAPT (0.44) POLBNPSR1ALDH1A1L3MBTL1ABL1
SCHEMBL7701143 0.65 ALDH1A1 (0.50) SCN9AHSD11B1S1PR1POLBNPSR1
SCHEMBL900653 0.65 F2RL3 (0.47) SCN9AHSD11B1S1PR1CYP2C9ALDH1A1
SCHEMBL16546583 0.65 S1PR1 (0.37) APPSCN9AHSD11B1S1PR1HDAC6
SCHEMBL16546540 0.64 APP (0.37) APPSCN9AHSD11B1HDAC6POLB

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