SCHEMBL290634

SCHEMBL290634

CCOC(=O)c1sc(-c2ccc(-c3cnc4ccccc4c3)s2)nc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 2/20 0.54
CDC7 O00311 4/20 0.51
DBF4 Q9UBU7 4/20 0.51
TRPM8 Q7Z2W7 3/20 0.46
DHODH Q02127 1/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 2/20 0.44
FOS P01100 1/20 0.42
JUN P05412 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
CYP2C9 P11712 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
SCHEMBL290104 0.85 KDM4E (0.59) KDM4EALDH1A1LMNACDC7DBF4
SCHEMBL289156 0.83 ALDH1A1 (0.65) KDM4EALDH1A1LMNACDC7DBF4
SCHEMBL290101 0.82 ALDH1A1 (0.64) KDM4EALDH1A1LMNACDC7DBF4
SCHEMBL289325 0.80 TRPM8 (0.65) KDM4EALDH1A1LMNACDC7DBF4
SCHEMBL290210 0.79 KDM4E (0.60) KDM4EALDH1A1LMNACDC7DBF4
SCHEMBL289784 0.79 CDC7 (0.62) KDM4EALDH1A1LMNACDC7DBF4
SCHEMBL289506 0.79 CDC7 (0.62) KDM4EALDH1A1LMNACDC7DBF4
SCHEMBL290675 0.79 KDM4E (0.62) KDM4EALDH1A1LMNACDC7DBF4
Hydrochloric Acid SCHEMBL289783 0.78 CDC7 (0.61) KDM4EALDH1A1LMNACDC7DBF4
SCHEMBL288852 0.78 KDM4E (0.59) KDM4EALDH1A1LMNACDC7DBF4

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