SCHEMBL290104

SCHEMBL290104

CCOC(=O)c1sc(-c2ccc(-c3ccc4ccccc4c3)s2)nc1C

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 1/20 0.59
DHODH Q02127 3/20 0.56
CDC7 O00311 4/20 0.55
DBF4 Q9UBU7 4/20 0.55
LMNA P02545 1/20 0.55
TRPM8 Q7Z2W7 5/20 0.49
MAPT P10636 5/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
HSP90AA1 P07900 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL290206 0.90 KDM4E (0.55) KDM4EALDH1A1DHODHCDC7DBF4
SCHEMBL28295520 0.89 CDC7 (0.64) KDM4EALDH1A1DHODHCDC7DBF4
SCHEMBL289996 0.87 CDC7 (0.65) KDM4EALDH1A1DHODHCDC7DBF4
SCHEMBL289156 0.87 ALDH1A1 (0.65) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL290101 0.86 ALDH1A1 (0.64) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL290050 0.85 ALDH1A1 (0.58) KDM4EALDH1A1DHODHCDC7DBF4
SCHEMBL290210 0.85 KDM4E (0.60) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL290634 0.85 KDM4E (0.55) KDM4EALDH1A1DHODHCDC7DBF4
SCHEMBL290306 0.85 ALDH1A1 (0.59) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL290675 0.84 KDM4E (0.62) KDM4EALDH1A1CDC7DBF4LMNA

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