SCHEMBL30604342

SCHEMBL30604342

COCOc1ccccc1-c1cccc(N(C)C)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.43
HTR7 P34969 4/20 0.41
CTSS P25774 3/20 0.38
CTSK P43235 3/20 0.38
CTSL P07711 2/20 0.38
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 3/20 0.34
NSD2 O96028 1/20 0.34
EGFR P00533 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 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
SCHEMBL30604339 0.81 KCNN4 (0.46) KCNN4HTR7CTSSCTSKCTSL
SCHEMBL12772066 0.79 TDP1 (0.36) KCNN4HTR7ALDH1A1MAPTEGFR
SCHEMBL30604347 0.79 KCNN4 (0.44) KCNN4HTR7CTSSCTSKCTSL
SCHEMBL6048623 0.79 KCNN4 (0.49) KCNN4HTR7ALDH1A1LMNAMAPT
SCHEMBL30604355 0.75 AR (0.43) KCNN4CTSSCTSKCTSLALDH1A1
SCHEMBL31166945 0.73 PTPN1 (0.42) KCNN4ALDH1A1MAPTEGFRTDP1
SCHEMBL12773931 0.70 PTPN1 (0.31) HTR7MAPTEGFRKDM4EPTPN1
SCHEMBL23092046 0.69 KCNN4 (0.43) KCNN4HTR7ALDH1A1MAPTEGFR
SCHEMBL16056052 0.69 FGFR1 (0.42) KCNN4ALDH1A1LMNAMAPTEGFR
SCHEMBL30741239 0.69 CA12 (0.48) KCNN4ALDH1A1LMNAMAPTEGFR

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