SCHEMBL28097359

SCHEMBL28097359

Nc1sc(-c2ccccc2)cc1COC=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 7/20 0.46
GFER P55789 1/20 0.46
IKBKB O14920 3/20 0.45
ALOX15 P16050 8/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ADORA1 P30542 1/20 0.43
KDM4E B2RXH2 3/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL9240578 0.77 ALOX15 (0.55) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL27965972 0.73 ALDH1A1 (0.58) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL27859886 0.73 GAA (0.50) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL28119079 0.72 SRC (0.32)
SCHEMBL28104481 0.72 SRC (0.38) GAAALDH1A1MAPTALOX15HSD17B10
SCHEMBL12085215 0.71 MAPT (0.59) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL16750169 0.70 GAA (0.54) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL28097289 0.70 SRC (0.36)
SCHEMBL28104478 0.70 GAA (0.43) GAAALDH1A1MAPTALOX15HSD17B10
SCHEMBL28119035 0.70 MAOA (0.42) ALDH1A1MAPTIKBKBKDM4E

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
CN-103958521-B Pyrimidin-4-one derivatives and their use in the treatment, alleviation or prevention of viral diseases 弗·哈夫曼-拉罗切有限公司 2016-10-19 CN disclosed