SCHEMBL299662

SCHEMBL299662

CCOC(=O)c1sc(-c2ccc(-c3cncc4ccccc34)s2)nc1C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CDC7 O00311 7/20 0.52
DBF4 Q9UBU7 7/20 0.52
LMNA P02545 1/20 0.52
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
TRPM8 Q7Z2W7 1/20 0.44
DHODH Q02127 1/20 0.43
HTR2C P28335 2/20 0.42
KMT2A Q03164 4/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 3/20 0.42
CYP2C9 P11712 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41

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
SCHEMBL289396 0.88 KDM4E (0.59) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL299795 0.85 SMN1; SMN2 (0.52) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL290135 0.82 ALDH1A1 (0.62) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289856 0.81 ALDH1A1 (0.58) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL290085 0.80 ALDH1A1 (0.60) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL290379 0.80 ALDH1A1 (0.60) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL4011362 0.79 HTR2C (0.65) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289156 0.79 ALDH1A1 (0.65) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289907 0.79 ALDH1A1 (0.59) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL290101 0.78 ALDH1A1 (0.64) 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