SCHEMBL299752

SCHEMBL299752

CCOC(=O)c1sc(-c2ccco2)nc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
KDM4E B2RXH2 4/20 0.60
RAB9A P51151 2/20 0.59
CDC7 O00311 2/20 0.59
DBF4 Q9UBU7 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
LMNA P02545 1/20 0.58
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
PKM P14618 2/20 0.53
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TDP1 Q9NUW8 3/20 0.51
HPGD P15428 3/20 0.50
NPC1 O15118 1/20 0.50
ADORA2B P29275 2/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
POLB P06746 3/20 0.48

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
SCHEMBL289610 0.89 ALDH1A1 (0.60) ALDH1A1KDM4ERAB9ACDC7DBF4
SCHEMBL10049086 0.82 SMN1; SMN2 (0.60) ALDH1A1KDM4ERAB9AL3MBTL1KMT2A
SCHEMBL12034449 0.80 CDC7 (0.69) ALDH1A1KDM4ERAB9ACDC7DBF4
SCHEMBL299998 0.78 CDC7 (0.57) ALDH1A1KDM4ERAB9ACDC7DBF4
SCHEMBL1316281 0.78 CDC7 (0.77) ALDH1A1KDM4ERAB9ACDC7DBF4
SCHEMBL22619882 0.77 KDM4E (0.53) ALDH1A1KDM4ERAB9AL3MBTL1MEN1
SCHEMBL12475798 0.77 TRPM8 (0.63) ALDH1A1KDM4ERAB9ACDC7DBF4
SCHEMBL9823323 0.76 RAB9A (0.56) ALDH1A1KDM4ERAB9AL3MBTL1MEN1
SCHEMBL26638993 0.76 CDC7 (0.59) ALDH1A1KDM4ERAB9ACDC7DBF4
Bromide SCHEMBL1257330 0.76 ALDH1A1 (0.64) ALDH1A1KDM4ERAB9ACDC7DBF4

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
CN-107151243-B 2-substituted-4-methyl-5- (4, 5-dihydrothiazole-2-yl) -1, 3-thiazole compounds, preparation method and biological activity evaluation thereof 江苏海洋大学 2020-09-08 CN disclosed
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