SCHEMBL28835294

SCHEMBL28835294

NC(=O)OCNC(=O)c1ccc(Br)o1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.63
HPGD P15428 11/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 2/20 0.54
THRB P10828 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NPC1 O15118 2/20 0.52
HSD17B10 Q99714 1/20 0.52
RAB9A P51151 1/20 0.52
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.49
GLA P06280 1/20 0.49

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
SCHEMBL28267142 0.82 ALDH1A1 (0.65) ALDH1A1HPGDL3MBTL1SMN1; SMN2LMNA
SCHEMBL1448060 0.81 ALDH1A1 (0.67) ALDH1A1HPGDL3MBTL1SMN1; SMN2LMNA
SCHEMBL5243576 0.80 ALDH1A1 (0.71) ALDH1A1HPGDL3MBTL1SMN1; SMN2LMNA
SCHEMBL16898143 0.78 ALDH1A1 (0.73) ALDH1A1HPGDL3MBTL1SMN1; SMN2LMNA
SCHEMBL2112079 0.76 ALDH1A1 (0.69) ALDH1A1HPGDL3MBTL1SMN1; SMN2LMNA
SCHEMBL13753317 0.75 ALDH1A1 (0.73) ALDH1A1HPGDL3MBTL1SMN1; SMN2LMNA
SCHEMBL5717558 0.75 ALDH1A1 (0.73) ALDH1A1HPGDL3MBTL1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL10710405 0.74 ALDH1A1 (0.77) ALDH1A1HPGDL3MBTL1SMN1; SMN2LMNA
SCHEMBL8790687 0.74 ALDH1A1 (0.67) ALDH1A1HPGDL3MBTL1SMN1; SMN2LMNA
SCHEMBL3201536 0.73 ALDH1A1 (0.83) ALDH1A1HPGDL3MBTL1SMN1; SMN2LMNA

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-109970797-A Hydroxyformamide derivatives and application thereof 葛兰素史密斯克莱知识产权(第2 号)有限公司 2019-07-05 CN disclosed
CN-106103431-B Hydroxycarboxamide derivatives and their use 葛兰素史密斯克莱知识产权(第2 号)有限公司 2019-03-15 CN disclosed
CN-106103431-A Hydroxycarboxamide derivatives and their use 葛兰素史密斯克莱知识产权(第2 号)有限公司 2016-11-09 CN disclosed