SCHEMBL290050

SCHEMBL290050

CCOC(=O)c1sc(-c2ccc(-c3cccc(OC)c3)s2)nc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
KDM4E B2RXH2 5/20 0.58
CDC7 O00311 3/20 0.54
DBF4 Q9UBU7 3/20 0.54
LMNA P02545 1/20 0.51
HPGD P15428 4/20 0.50
HSD17B10 Q99714 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
USP2 O75604 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
KIFC1 Q9BW19 1/20 0.48
TRPM8 Q7Z2W7 3/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 3/20 0.48
KMT2A Q03164 3/20 0.48
DHODH Q02127 1/20 0.48
HDAC6 Q9UBN7 1/20 0.47
ALOX15 P16050 1/20 0.47
NPC1 O15118 3/20 0.46

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
SCHEMBL290226 0.90 KDM4E (0.55) ALDH1A1KDM4ECDC7DBF4LMNA
SCHEMBL2881560 0.90 CDC7 (0.63) ALDH1A1KDM4ECDC7DBF4LMNA
SCHEMBL290210 0.89 KDM4E (0.60) ALDH1A1KDM4ECDC7DBF4LMNA
SCHEMBL290306 0.89 ALDH1A1 (0.59) ALDH1A1KDM4ECDC7DBF4LMNA
SCHEMBL289156 0.88 ALDH1A1 (0.65) ALDH1A1KDM4ECDC7DBF4LMNA
SCHEMBL290101 0.87 ALDH1A1 (0.64) ALDH1A1KDM4ECDC7DBF4LMNA
SCHEMBL289979 0.87 TRPM8 (0.65) ALDH1A1KDM4ECDC7DBF4LMNA
SCHEMBL289325 0.87 TRPM8 (0.65) ALDH1A1KDM4ECDC7DBF4LMNA
SCHEMBL289964 0.86 SMN1; SMN2 (0.57) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL289838 0.86 ALDH1A1 (0.57) ALDH1A1KDM4ECDC7DBF4LMNA

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