SCHEMBL28940906

SCHEMBL28940906

NC(=O)Oc1cncc(OCCO)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LOX P28300 1/20 0.39
AOC3 Q16853 1/20 0.39
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
CHEK2 O96017 1/20 0.36
GAA P10253 1/20 0.36
GCK P35557 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
ABL1 P00519 1/20 0.35
CYP11B2 P19099 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
AKT1 P31749 1/20 0.34

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
SCHEMBL24343796 0.84 ALDH1A1 (0.48) LOXAOC3ALDH1A1RECQLMKNK2
SCHEMBL9572445 0.84 KMT2A (0.58) MEN1KMT2AMKNK1MKNK2
SCHEMBL16554530 0.81 MEN1 (0.44) MEN1KMT2A
SCHEMBL9448404 0.80 SIRT2 (0.49) CHEK2MKNK1MKNK2
SCHEMBL21459847 0.76 MEN1 (0.37) MEN1KMT2ALOXAOC3ALDH1A1
SCHEMBL28292736 0.76 KMT2A (0.41) MEN1KMT2AMKNK1MKNK2CYP11B2
SCHEMBL28938407 0.75 MKNK2 (0.53) MEN1KMT2AMKNK1MKNK2CYP11B2
SCHEMBL4313658 0.75 CYP11B1 (0.46) ALDH1A1RECQLGCKCYP11B2CHRNB2
SCHEMBL24343865 0.73 APP (0.45) MEN1KMT2AALDH1A1CHRNB2CHRNA4
SCHEMBL28940984 0.73 APLNR (0.46) MEN1KMT2AGAAMKNK1MKNK2

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-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN claimed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed