SCHEMBL27730232

SCHEMBL27730232

[CH2]Cc1csc(NC(=O)OCc2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.47
ENPP2 Q13822 1/20 0.46
GLS O94925 1/20 0.46
LMNA P02545 3/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.45
HSD17B10 Q99714 1/20 0.44
ATM Q13315 1/20 0.44
MGLL Q99685 1/20 0.44
CTRB1 P17538 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
SCHEMBL4873516 0.88 MAPK1 (0.56) MAPK1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL9153870 0.87 MAPK1 (0.55) MAPK1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL4832627 0.87 ALDH1A1 (0.59) MAPK1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL10084516 0.87 SMN1; SMN2 (0.62) MAPK1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL15331063 0.85 MAPK1 (0.53) MAPK1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL10349418 0.84 TP53 (0.56) MAPK1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL27751166 0.82 LMNA (0.69) MAPK1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL4873462 0.81 AOC3 (0.55) MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL27523268 0.81 MAPK1 (0.54) MAPK1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL8872595 0.81 ELOVL1 (0.66) NPC1RAB9AENPP2

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
CN-101362735-B Preparation method of ethyl 2-[[(bezyloxy)carbonyl]amido]-4-thiazolyl acetate SHANDONG JINCHENG PHARMACEUTICAL & CHEMICALS CO LTD 2011-01-05 CN disclosed
CN-101362735-A Preparation method of ethyl 2-[[(bezyloxy)carbonyl]amido]-4-thiazolyl acetate SHANDONG JINCHENG PHARMACEUTIC (CN) 2009-02-11 CN disclosed