SCHEMBL28889284

SCHEMBL28889284

CNC(=O)SNC(=O)C(c1cc(C(F)(F)F)ccn1)c1cccnc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KCNN4 O15554 1/20 0.34
TRPV1 Q8NER1 3/20 0.34
GAA P10253 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
TRPV3 Q8NET8 1/20 0.32
P2RY1 P47900 1/20 0.32
SORT1 Q99523 2/20 0.32
SCN8A Q9UQD0 2/20 0.32
SCN10A Q9Y5Y9 2/20 0.32
TACR1 P25103 1/20 0.32
MEN1 O00255 1/20 0.31
GMNN O75496 1/20 0.31
TTR P02766 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 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
SCHEMBL29893753 1.00 ADRB2 (0.37) ADRB2LMNAPOLBALDH1A1L3MBTL1
SCHEMBL28889308 0.89 ADRB2 (0.38) ADRB2LMNAPOLBALDH1A1L3MBTL1
SCHEMBL28889336 0.87 HDAC4 (0.41) ADRB2LMNAPOLBALDH1A1L3MBTL1
SCHEMBL28959159 0.87 ADRB2 (0.38) ADRB2LMNAPOLBALDH1A1L3MBTL1
SCHEMBL28889204 0.86 ADRB2 (0.39) ADRB2LMNAALDH1A1L3MBTL1SCN8A
SCHEMBL28889382 0.85 ADRB2 (0.39) ADRB2LMNAPOLBALDH1A1L3MBTL1
SCHEMBL28889402 0.83 KMT2A (0.38) ADRB2LMNAPOLBL3MBTL1KCNN4
SCHEMBL29942209 0.83 ADRB2 (0.38) ADRB2LMNAPOLBALDH1A1L3MBTL1
SCHEMBL28889237 0.82 ADRB2 (0.39) ADRB2ALDH1A1L3MBTL1GAAP2RY1
SCHEMBL28889194 0.82 ADRB2 (0.37) ADRB2LMNAPOLBALDH1A1L3MBTL1

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-115215862-A Pyrimidone compounds and uses thereof 武汉人福创新药物研发中心有限公司 2022-10-21 CN disclosed