SCHEMBL19782897

SCHEMBL19782897

CC(C)OC(=O)c1sc(N(CO)c2ncccn2)nc1-c1cnccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
HSD17B10 Q99714 3/20 0.34
ALDH1A1 P00352 8/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 2/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL19782716 0.90 CDC7 (0.39) CDC7DBF4L3MBTL1HSD17B10ALDH1A1
SCHEMBL19782898 0.87 ALDH1A1 (0.39) CDC7DBF4L3MBTL1HSD17B10ALDH1A1
SCHEMBL19782724 0.84 CDC7 (0.33) CDC7DBF4L3MBTL1HSD17B10ALDH1A1
SCHEMBL19782384 0.76 ALDH1A1 (0.38) CDC7DBF4L3MBTL1ALDH1A1RAB9A
SCHEMBL19782899 0.74 LMNA (0.42) L3MBTL1HSD17B10ALDH1A1RAB9AMEN1
SCHEMBL19783110 0.73 LMNA (0.35) L3MBTL1HSD17B10ALDH1A1RAB9AMEN1
SCHEMBL19783004 0.72 LMNA (0.34) L3MBTL1HSD17B10ALDH1A1RAB9AMEN1
SCHEMBL19782395 0.69 CDC7 (0.40) CDC7DBF4ALDH1A1KDM4EMAPT
SCHEMBL510314 0.63 CDC7 (0.62) CDC7DBF4HSD17B10ALDH1A1RAB9A
SCHEMBL509072 0.63 CDC7 (0.62) CDC7DBF4HSD17B10ALDH1A1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018013508-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE (US) 2018-01-18 WO disclosed