SCHEMBL28889382

SCHEMBL28889382

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KCNN4 O15554 1/20 0.36
TRPV1 Q8NER1 3/20 0.35
P2RY1 P47900 2/20 0.35
GAA P10253 1/20 0.35
SCN8A Q9UQD0 2/20 0.35
SCN10A Q9Y5Y9 2/20 0.35
TRPV3 Q8NET8 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 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
SCHEMBL29942209 0.90 ADRB2 (0.38) ADRB2LMNAPOLBALDH1A1L3MBTL1
SCHEMBL28889187 0.88 MEN1 (0.40) ADRB2MEN1KMT2ALMNAPOLB
SCHEMBL29942367 0.87 ADRB2 (0.40) ADRB2ALDH1A1L3MBTL1KCNN4TRPV1
SCHEMBL28889349 0.87 P2RY1 (0.41) ADRB2MEN1KMT2ALMNAPOLB
SCHEMBL28889178 0.86 HDAC4 (0.43) ADRB2MEN1KMT2ALMNAP2RY1
SCHEMBL28889281 0.86 KMT2A (0.40) ADRB2MEN1KMT2ALMNAPOLB
SCHEMBL28889319 0.85 ADRB2 (0.41) ADRB2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL29893753 0.85 ADRB2 (0.37) ADRB2MEN1KMT2ALMNAPOLB
SCHEMBL28889284 0.85 ADRB2 (0.37) ADRB2MEN1KMT2ALMNAPOLB
SCHEMBL29941697 0.82 MEN1 (0.49) ADRB2MEN1KMT2APOLBALDH1A1

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