SCHEMBL298659

SCHEMBL298659

CCOC(=O)c1cnc(-c2ccc(Br)s2)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 6/20 0.61
DBF4 Q9UBU7 6/20 0.61
RXFP1 Q9HBX9 3/20 0.43
POLB P06746 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39

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
SCHEMBL289917 0.82 CDC7 (0.62) CDC7DBF4MAPTNPC1RAB9A
SCHEMBL288491 0.80 CDC7 (0.60) CDC7DBF4RXFP1POLBNPSR1
SCHEMBL298267 0.78 CDC7 (0.65) CDC7DBF4RXFP1POLBNPSR1
SCHEMBL274346 0.78 CDC7 (0.59) CDC7DBF4POLBMAPTHDAC3
Hydrochloric Acid SCHEMBL1519816 0.76 CDC7 (0.57) CDC7DBF4POLBMAPTNPC1
SCHEMBL23794795 0.76 CDC7 (0.79) CDC7DBF4MAPTNPC1PKM
SCHEMBL5735273 0.76 CDC7 (1.00) CDC7DBF4ALDH1A1HPGDHSD17B10
SCHEMBL2225549 0.76 CDC7 (0.79) CDC7DBF4NPSR1MAPTNPC1
SCHEMBL290424 0.76 CDC7 (0.52) CDC7DBF4MAPTNPC1RAB9A
SCHEMBL64687 0.76 HDAC3 (0.58) CDC7DBF4RXFP1POLBNPSR1

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 3 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
WO-2010065383-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-06-10 WO disclosed