SCHEMBL289917

SCHEMBL289917

CCOC(=O)c1cnc(-c2ccc(-c3ccccc3)s2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.62
DBF4 Q9UBU7 4/20 0.62
ALDH1A1 P00352 9/20 0.48
MAPT P10636 7/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
RAB9A P51151 4/20 0.48
HSD17B10 Q99714 3/20 0.48
HPGD P15428 3/20 0.48
NPC1 O15118 3/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48
HDAC6 Q9UBN7 2/20 0.46
HDAC4 P56524 1/20 0.46
RARA P10276 1/20 0.44
RARB P10826 1/20 0.44
RARG P13631 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
SCHEMBL2225549 0.88 CDC7 (0.79) CDC7DBF4ALDH1A1MAPTSMN1; SMN2
SCHEMBL288491 0.82 CDC7 (0.60) CDC7DBF4ALDH1A1MAPTSMN1; SMN2
SCHEMBL298659 0.82 CDC7 (0.61) CDC7DBF4ALDH1A1MAPTRAB9A
SCHEMBL290424 0.81 CDC7 (0.52) CDC7DBF4ALDH1A1MAPTSMN1; SMN2
SCHEMBL10471050 0.81 ALDH1A1 (0.55) CDC7DBF4ALDH1A1MAPTSMN1; SMN2
SCHEMBL12470090 0.81 ALDH1A1 (0.57) CDC7DBF4ALDH1A1MAPTSMN1; SMN2
SCHEMBL289687 0.81 RAB9A (0.56) ALDH1A1MAPTSMN1; SMN2RAB9AHPGD
SCHEMBL23794663 0.81 CDC7 (0.67) CDC7DBF4ALDH1A1MAPTSMN1; SMN2
SCHEMBL298267 0.79 CDC7 (0.65) CDC7DBF4ALDH1A1MAPTSMN1; SMN2
SCHEMBL1638364 0.79 CDC7 (0.73) CDC7DBF4ALDH1A1MAPTSMN1; SMN2

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