SCHEMBL28873100

SCHEMBL28873100

O=C1NC(CC23CC4CC(CC(C4)C2)C3)(c2ccccc2)c2ccccc2O1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FPR1 P21462 1/20 0.33
EPHX2 P34913 1/20 0.32
PRMT5 O14744 3/20 0.31
WDR77 Q9BQA1 3/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
LMNA P02545 1/20 0.31
CTSD P07339 1/20 0.30
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30

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
SCHEMBL28873098 0.78 SLC6A1 (0.32) MEN1KMT2A
SCHEMBL28873132 0.76 PRMT5 (0.33) MEN1KMT2APRMT5WDR77
SCHEMBL28873103 0.75 CYP2C19 (0.39) KMT2ALMNA
SCHEMBL28873111 0.74 CYP2C19 (0.35) MEN1KMT2ALMNA
SCHEMBL28873109 0.73 PRMT5 (0.40) MEN1KMT2APRMT5WDR77CHRM2
SCHEMBL28341514 0.70 LMNA (0.39) P2RX7MEN1KMT2ALMNA
SCHEMBL10609425 0.69 ALDH1A1 (0.43) MEN1KMT2ALMNA
SCHEMBL28341561 0.67 P2RX7 (0.33) P2RX7MEN1KMT2ACHRM2CHRM1
SCHEMBL28873105 0.64 SLC6A4 (0.36) KMT2A
SCHEMBL28873113 0.64 ADAM17 (0.34) LMNA

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-110372625-B Method for preparing 4-alkyl methyl-4-aryl-1,3-benzoxazine-2 (4H) -ketone by blue light irradiation 常州大学 2022-11-01 CN disclosed