SCHEMBL30838899

SCHEMBL30838899

Brc1ccc2c(c1)-c1ccccc1OC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTR2B P41595 3/20 0.48
ALDH1A1 P00352 5/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
APP P05067 2/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
KMT2A Q03164 2/20 0.44
AHR P35869 1/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
CYP19A1 P11511 1/20 0.41
MAPK1 P28482 1/20 0.41
NOTUM Q6P988 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL7246016 0.87 TDP1 (0.64) TDP1L3MBTL1HTR2BALDH1A1MAPT
SCHEMBL9977361 0.84 MAOA (0.47) TDP1L3MBTL1HTR2BALDH1A1MAPT
SCHEMBL11404428 0.82 ALDH1A1 (0.69) TDP1L3MBTL1HTR2BALDH1A1MAPT
SCHEMBL3142640 0.81 MAPT (0.72) TDP1L3MBTL1ALDH1A1MAPTRAB9A
SCHEMBL29395306 0.80 MAOB (0.60) TDP1L3MBTL1HTR2BALDH1A1MAPT
SCHEMBL29799860 0.80 MAOB (0.60) TDP1L3MBTL1HTR2BALDH1A1MAPT
SCHEMBL132696 0.80 MAOB (0.60) TDP1L3MBTL1HTR2BALDH1A1MAPT
SCHEMBL30838849 0.79 RAB9A (0.45) ALDH1A1MAPTRAB9AAPPMAOA
SCHEMBL11253494 0.79 LMNA (0.56) TDP1HTR2BALDH1A1MAPTRAB9A
Methane SCHEMBL29238124 0.78 MAOB (0.58) TDP1L3MBTL1HTR2BALDH1A1MAPT

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-117736199-A 6H-dibenzo [ b, d ] pyran derivative substituted by 3-position oxygen-containing group, and preparation method and application thereof 西安交通大学 2024-03-22 CN disclosed
CN-117736200-A 2- [ (6H-dibenzo [ b, d ] pyran-3-yl) oxy ] amide derivative and preparation method and application thereof 西安交通大学 2024-03-22 CN disclosed