SCHEMBL7678728

SCHEMBL7678728

CCOC(=O)c1sc(C)nc1-c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 6/20 0.52
DBF4 Q9UBU7 6/20 0.52
ALDH1A1 P00352 4/20 0.51
HSD17B10 Q99714 3/20 0.51
HPGD P15428 4/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48
DHODH Q02127 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL406740 0.86 CDC7 (0.54) CDC7DBF4ALDH1A1HSD17B10HPGD
SCHEMBL1586157 0.82 CDC7 (0.46) CDC7DBF4MEN1KMT2ANPC1
SCHEMBL8823153 0.81 ALDH1A1 (0.75) CDC7DBF4ALDH1A1HSD17B10HPGD
SCHEMBL24508628 0.79 JAK2 (0.51) CDC7DBF4ALDH1A1HSD17B10HPGD
SCHEMBL1340065 0.78 TRPM8 (0.62) CDC7DBF4ALDH1A1HSD17B10HPGD
SCHEMBL1340195 0.77 TRPM8 (0.65) CDC7DBF4ALDH1A1HSD17B10HPGD
SCHEMBL10242415 0.76 NPC1 (0.50) CDC7DBF4ALDH1A1HSD17B10HPGD
SCHEMBL953635 0.76 CDC7 (0.47) CDC7DBF4ALDH1A1HSD17B10HPGD
SCHEMBL6766164 0.75 DHODH (0.60) CDC7DBF4ALDH1A1HSD17B10HPGD
SCHEMBL1968834 0.75 TRPM8 (0.60) CDC7DBF4ALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6413997-B1 INSECTICIDES, MITICIDES DOW AGROSCIENCES LLC 2002-07-02 US disclosed
EP-1124827-A1 3-(SUBSTITUTED PHENYL)-5-(SUBSTITUTED HETEROCYCLYL)-1,2,4-TRIAZOLE COMPOUNDS Dow AgroSciences LLC (US) 2001-08-22 EP disclosed
US-6096898-A One pot synthesis of 1,2,4-triazoles DOW AGROSCIENCES LLC (US) 2000-08-01 US disclosed
WO-2000024739-A1 3-(SUBSTITUTED PHENYL)-5-(SUBSTITUTED HETEROCYCLYL)-1,2,4-TRIAZOLE COMPOUNDS DOW AGROSCIENCES LLC (US) 2000-05-04 WO disclosed