SCHEMBL28625331

SCHEMBL28625331

COC(=O)C(C)(NC(=O)CN=[N+]=[N-])c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.43
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
MAPT P10636 3/20 0.34
SRC P12931 1/20 0.34
MAPK1 P28482 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33

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
SCHEMBL28625328 1.00 KCNN4 (0.43) KCNN4TLR8TLR7CYP1A2CYP3A4
SCHEMBL22032437 0.88 CYP3A4 (0.40) KCNN4TLR8TLR7CYP1A2CYP3A4
SCHEMBL22032438 0.88 CYP3A4 (0.40) KCNN4TLR8TLR7CYP1A2CYP3A4
SCHEMBL28615903 0.77 KCNN4 (0.50) KCNN4CYP1A2CYP3A4RECQLKMT2A
SCHEMBL28615904 0.77 KCNN4 (0.50) KCNN4CYP1A2CYP3A4RECQLKMT2A
SCHEMBL1448419 0.74 KCNN4 (0.56) KCNN4CYP1A2CYP3A4RECQLKMT2A
SCHEMBL15362803 0.72 CYP3A4 (0.50) KCNN4TLR8TLR7CYP1A2CYP3A4
SCHEMBL29273279 0.71 MAPT (0.46) KCNN4TLR8TLR7KMT2AOPRM1
SCHEMBL20608008 0.70 KCNN4 (0.51) KCNN4KMT2AMEN1MAPTSRC
SCHEMBL30188924 0.70 KCNN4 (0.51) KCNN4KMT2AMEN1OPRM1OPRD1

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-113365696-A Pharmaceutical compounds and their use as inhibitors of ubiquitin-specific protease 19(USP19) 阿尔麦克探索有限公司 2021-09-07 CN disclosed