SCHEMBL28545233

SCHEMBL28545233

CCOOCC(C#N)NC(=O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.48
KAT6A Q92794 3/20 0.46
HDAC8 Q9BY41 1/20 0.45
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
TAS1R2 Q8TE23 1/20 0.44
DDR1 Q08345 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
GPR132 Q9UNW8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NAMPT P43490 1/20 0.41
PCSK9 Q8NBP7 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A9 P48067 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL28779668 0.88 HDAC3 (0.49) HDAC8TRPV1
SCHEMBL28549970 0.86 NPSR1 (0.58) GPR139TAS1R3TAS1R1MEN1KMT2A
SCHEMBL28555031 0.84 LMNA (0.51) GPR139TAS1R3TAS1R1MEN1KMT2A
SCHEMBL28554992 0.83 ALDH1A1 (0.48) TAS1R3TAS1R1MEN1KMT2AALDH1A1
SCHEMBL28555760 0.83 TAS1R3 (0.52) HDAC8TAS1R3TAS1R1MEN1KMT2A
SCHEMBL28554643 0.82 HPGD (0.54) GPR139MEN1KMT2ALMNA
SCHEMBL28554447 0.81 CTSL (0.47) ALDH1A1SMN1; SMN2
SCHEMBL28551104 0.80 HDAC3 (0.48) MEN1KMT2A
SCHEMBL28566084 0.79 LMNA (0.43) TAS1R3TAS1R1TSHRALDH1A1MRGPRX4
SCHEMBL28550547 0.78 TAS1R3 (0.44) TAS1R3TAS1R1ALDH1A1SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778333-B Tetrahydrooxazolopyridino-azoxanone derivative and application thereof 中国科学院新疆理化技术研究所 2022-07-05 CN disclosed
CN-112724157-B Dihydrooxazolo [5,4-d ] pyrrolo [1,2-a ] pyrimidin-9 (5H) -one derivatives and use thereof 中国科学院新疆理化技术研究所 2022-04-19 CN disclosed
CN-112851692-B Oxazolo [5,4-d ] pyrido [1,2-a ] pyrimidone derivative and application thereof 中国科学院新疆理化技术研究所 2022-04-08 CN disclosed
CN-112851692-A Oxazolo [5,4-d ] pyrido [1,2-a ] pyrimidone derivative and application thereof 中国科学院新疆理化技术研究所 2021-05-28 CN disclosed
CN-112778333-A Tetrahydrooxazolopyridino-azoxanone derivative and application thereof 中国科学院新疆理化技术研究所 2021-05-11 CN disclosed
CN-112724157-A Dihydrooxazolo [5,4-d ] pyrrolo [1,2-a ] pyrimidin-9 (5H) -one derivatives and use thereof 中国科学院新疆理化技术研究所 2021-04-30 CN disclosed