SCHEMBL28833261

SCHEMBL28833261

COCOc1ccc(C#N)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
AR P10275 4/20 0.39
XDH P47989 1/20 0.39
ESRRA P11474 1/20 0.39
TRPV4 Q9HBA0 1/20 0.37
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 2/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TTR P02766 1/20 0.36
ALB P02768 1/20 0.36
NPY1R P25929 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
NCEH1 Q6PIU2 1/20 0.35

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
SCHEMBL29886939 1.00 FFAR1 (0.40) FFAR1ARXDHESRRATRPV4
SCHEMBL1303864 0.88 ALDH1A1 (0.40) FFAR1ARESRRATRPV4MAPT
SCHEMBL22323924 0.87 TRPV4 (0.40) FFAR1ARXDHTRPV4MAPT
SCHEMBL5089148 0.85 TRPV4 (0.42) FFAR1ARESRRATRPV4MAPT
SCHEMBL15170403 0.84 AR (0.45) ARXDHTRPV4MAPTPTGDR2
SCHEMBL944720 0.83 TRPV4 (0.53) FFAR1ARTRPV4MAPTL3MBTL1
SCHEMBL1303515 0.82 FFAR1 (0.38) FFAR1ARESRRATRPV4MAPT
SCHEMBL31151408 0.81 MRGPRX4 (0.49) ARXDHESRRATRPV4ALDH1A1
SCHEMBL1734101 0.81 AR (0.54) ARXDHTRPV4MAPTLMNA
SCHEMBL30118209 0.80 AR (0.51) FFAR1ARESRRAL3MBTL1MEN1

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