SCHEMBL28833235

SCHEMBL28833235

COCOc1ccc(N2CCN(C)CC2)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALOX15 P16050 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALOX12 P18054 1/20 0.49
NR4A1 P22736 1/20 0.49
HTR6 P50406 4/20 0.44
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
KMT2A Q03164 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
MAPK1 P28482 2/20 0.43
HTR1B P28222 1/20 0.42
HTR3A P46098 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
PTK2B Q14289 1/20 0.41
NPC1 O15118 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
SCHEMBL29887105 1.00 MAPT (0.49) MAPTSMN1; SMN2ALOX15HSD17B10ALOX12
SCHEMBL29887039 0.84 MAPT (0.48) MAPTSMN1; SMN2ALOX15HSD17B10ALOX12
SCHEMBL28833540 0.84 MAPT (0.48) MAPTSMN1; SMN2ALOX15HSD17B10ALOX12
SCHEMBL30353482 0.80 GAA (0.55) MAPTSMN1; SMN2HTR6GAAMEN1
SCHEMBL23673431 0.75 TSHR (0.59) SMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL13243994 0.75 SIRT6 (0.63) MAPTHTR6GAAMEN1GLA
SCHEMBL23673444 0.75 HTR6 (0.38) MAPTSMN1; SMN2HSD17B10HTR6GAA
SCHEMBL9937031 0.74 SMN1; SMN2 (0.49) MAPTSMN1; SMN2ALOX15HSD17B10ALOX12
SCHEMBL2384047 0.74 SIRT6 (0.58) MAPTSMN1; SMN2HTR6GAAMEN1
SCHEMBL30602337 0.74 AGXT (0.44) MAPTSMN1; SMN2HTR6GAAMEN1

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-114981251-B Dibenzofuran derivative cathepsin K inhibitor and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-11-21 CN disclosed
CN-114981251-A Diphenyl furan derivative cathepsin K inhibitor and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-08-30 CN disclosed