SCHEMBL30604347

SCHEMBL30604347

COCOc1ccccc1-c1cccc(Br)c1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.44
CTSS P25774 3/20 0.39
CTSK P43235 3/20 0.39
CTSL P07711 2/20 0.39
HTR7 P34969 2/20 0.36
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADRB2 P07550 1/20 0.34
BRD4 O60885 1/20 0.34
PTGER1 P34995 1/20 0.33
NPC1 O15118 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
PTPN1 P18031 1/20 0.33
MAOB P27338 1/20 0.33
UGCG Q16739 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
SCHEMBL16055919 0.85 PTPN1 (0.37) KCNN4HTR7RAB9ALMNASMN1; SMN2
SCHEMBL23092046 0.85 KCNN4 (0.43) KCNN4HTR7RAB9ASMN1; SMN2ADRB2
SCHEMBL30604339 0.84 KCNN4 (0.46) KCNN4CTSSCTSKCTSLHTR7
SCHEMBL6048623 0.81 KCNN4 (0.49) KCNN4HTR7RAB9ALMNAADRB2
SCHEMBL30604342 0.79 KCNN4 (0.43) KCNN4CTSSCTSKCTSLHTR7
SCHEMBL30604355 0.78 AR (0.43) KCNN4CTSSCTSKCTSLRAB9A
SCHEMBL29572501 0.77 HTR7 (0.53) HTR7RAB9ALMNASMN1; SMN2NPC1
SCHEMBL755670 0.77 HTR7 (0.53) HTR7RAB9ALMNASMN1; SMN2NPC1
SCHEMBL31166945 0.75 PTPN1 (0.42) KCNN4SMN1; SMN2PTPN1MAOB
SCHEMBL19770514 0.75 TOP1 (0.44) HTR7LMNAHTR2AHTR2C

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-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