SCHEMBL29940476

SCHEMBL29940476

CC(C)Oc1noc2ccccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
MAPT P10636 4/20 0.40
TSHR P16473 1/20 0.40
MAOA P21397 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
PGAM1 P18669 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HIF1A Q16665 5/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL28906164 1.00 FAAH (0.43) FAAHMGLLMAPTTSHRMAOA
SCHEMBL29940739 0.81 FAAH (0.46) FAAHMGLLMAPTTSHRMAOA
SCHEMBL28906154 0.81 FAAH (0.46) FAAHMGLLMAPTTSHRMAOA
SCHEMBL11925164 0.71 BTK (0.43) MAPTTSHRMAOASMN1; SMN2ALDH1A1
SCHEMBL8142563 0.70 FAAH (0.56) FAAHMGLLMAPTSMN1; SMN2ALDH1A1
SCHEMBL28906146 0.68 KDM4E (0.48) MAPTMAOASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL29940757 0.68 KDM4E (0.48) MAPTMAOASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL6439681 0.68 MAOA (0.48) MAPTMAOASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL29940874 0.68 MAOA (0.44) FAAHMGLLMAPTMAOASMN1; SMN2
SCHEMBL28906151 0.68 MAOA (0.44) FAAHMGLLMAPTMAOASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115109006-B Preparation method of 3-substituted-1, 2-benzoxazine-4-ketone compound 上海大学 2025-03-14 CN disclosed
CN-115109006-A 3-substituted-1, 2-benzoxazine-4-ketone compound and preparation method thereof 上海大学 2022-09-27 CN disclosed