SCHEMBL28292626

SCHEMBL28292626

NC(=O)Oc1ccc(CCO)nc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
FFAR1 O14842 2/20 0.36
KIF11 P52732 1/20 0.36
ACACB O00763 1/20 0.35
AOC3 Q16853 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
MAPT P10636 1/20 0.33
PTGS2 P35354 2/20 0.32
PARP10 Q53GL7 3/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL26093046 0.86 KMT2A (0.41) KMT2AMEN1FFAR1KIF11OPRM1
SCHEMBL28375297 0.83 KMT2A (0.41) KMT2AMEN1FFAR1KIF11OPRM1
SCHEMBL28365996 0.80 PTGS2 (0.35) KMT2AMEN1FFAR1KIF11ACACB
SCHEMBL9519545 0.79 AOC3 (0.39) KMT2AMEN1FFAR1KIF11AOC3
SCHEMBL28723869 0.77 MEN1 (0.38) KMT2AMEN1KIF11
SCHEMBL26640548 0.76 SYK (0.39) KMT2AMEN1FFAR1KIF11ACACB
SCHEMBL28292573 0.76 KIF11 (0.36) KMT2AMEN1FFAR1KIF11MAPT
SCHEMBL28723920 0.75 GCK (0.40) KMT2AMEN1KIF11AOC3OPRM1
SCHEMBL28292605 0.75 MEN1 (0.46) KMT2AMEN1KIF11MAPTPARP10
SCHEMBL25253178 0.75 PTGS2 (0.40) PTGS2

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-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
CN-109689647-A The compound that bicyclic heteroaryl replaces 百时美施贵宝公司 2019-04-26 CN disclosed