SCHEMBL28321968

SCHEMBL28321968

CN(C)c1ccccc1O.Oc1ccccc1S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT8 Q9H7Z6 1/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 3/20 0.41
GAA P10253 2/20 0.41
TP53 P04637 1/20 0.41
APP P05067 5/20 0.38
TDP1 Q9NUW8 3/20 0.36
EGFR P00533 2/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NSD2 O96028 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CA12 O43570 1/20 0.36

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
Catechol SCHEMBL28201430 0.88 MCL1 (0.36) EP300KAT2BKAT8MAPTALDH1A1
SCHEMBL134637 0.87 EP300 (0.52) EP300KAT2BKAT8MAPTALDH1A1
SCHEMBL31276399 0.87 EP300 (0.52) EP300KAT2BKAT8MAPTALDH1A1
Hydrochloric Acid SCHEMBL28984485 0.84 EP300 (0.56) EP300KAT2BKAT8MAPTALDH1A1
Trimethylammonium SCHEMBL27539581 0.84 ALDH1A1 (0.45) EP300KAT2BKAT8MAPTALDH1A1
Hydroquinone SCHEMBL8745490 0.80 MCL1 (0.47) EP300KAT2BKAT8MAPTALDH1A1
SCHEMBL63008 0.79
SCHEMBL30194125 0.79
SCHEMBL3184970 0.77 MAPT (0.44) EP300KAT2BKAT8MAPTALDH1A1
Phosphoric Acid SCHEMBL28395086 0.77 MAPT (0.47) EP300KAT2BKAT8MAPTALDH1A1

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-105636929-B For purifying the unit and method of crude methacrylic acid methyl esters 阿肯马法国公司 2019-10-01 CN claimed