SCHEMBL28889402

SCHEMBL28889402

CNC(=O)SNC(=O)C(c1cc(C(F)(F)F)ccn1)c1ncccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
ADRB2 P07550 1/20 0.36
EPAS1 Q99814 1/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
P2RX7 Q99572 2/20 0.35
S1PR3 Q99500 3/20 0.34
S1PR1 P21453 2/20 0.34
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSP90AA1 P07900 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCNN4 O15554 1/20 0.34
P2RY1 P47900 2/20 0.33
TRPV1 Q8NER1 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
SCHEMBL28889204 0.87 ADRB2 (0.39) KMT2AADRB2EPAS1MAPTNPSR1
SCHEMBL28959207 0.85 KMT2A (0.40) KMT2AADRB2EPAS1MAPTNPSR1
SCHEMBL29893753 0.83 ADRB2 (0.37) KMT2AADRB2LMNAPOLBMEN1
SCHEMBL28889284 0.83 ADRB2 (0.37) KMT2AADRB2LMNAPOLBMEN1
SCHEMBL28959159 0.80 ADRB2 (0.38) KMT2AADRB2EPAS1MAPTNPSR1
SCHEMBL28889336 0.80 HDAC4 (0.41) ADRB2LMNAPOLBL3MBTL1P2RY1
SCHEMBL28889308 0.80 ADRB2 (0.38) KMT2AADRB2EPAS1MAPTLMNA
SCHEMBL28889237 0.80 ADRB2 (0.39) ADRB2MAPTKDM4EL3MBTL1P2RY1
SCHEMBL29893638 0.79 MEN1 (0.39) KMT2AADRB2EPAS1MAPTNPSR1
SCHEMBL28889288 0.79 MEN1 (0.39) KMT2AADRB2EPAS1MAPTNPSR1

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