SCHEMBL30171209

SCHEMBL30171209

CC(CBr)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.63
CYP2C19 P33261 1/20 0.52
ABCB11 O95342 1/20 0.52
ALB P02768 1/20 0.52
PGR P06401 1/20 0.52
ADRA2C P18825 1/20 0.52
GHSR Q92847 1/20 0.52

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
SCHEMBL22728020 1.00 AR (0.63) ARCYP2C19ABCB11ALBPGR
SCHEMBL19694994 1.00 AR (0.63) ARCYP2C19ABCB11ALBPGR
SCHEMBL15934329 1.00 AR (0.63) ARCYP2C19ABCB11ALBPGR
SCHEMBL28374913 0.92 AR (0.56) ARCYP2C19ABCB11ALBPGR
SCHEMBL29328408 0.89 AR (0.64) ARCYP2C19ABCB11ALBPGR
SCHEMBL28598515 0.86 AR (0.53) AR
SCHEMBL22727977 0.86 AR (0.53) AR
SCHEMBL19287017 0.86 AR (0.53) AR
SCHEMBL20459116 0.86 AR (0.60) ARCYP2C19ABCB11ALBPGR
SCHEMBL25166923 0.83 AR (0.55) ARCYP2C19ABCB11ALBPGR

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-115701991-A Pyrazolylpropionamide compounds and their use for treating prostate cancer 田纳西大学研究基金会 2023-02-14 CN disclosed
EP-4125846-A1 PYRAZOLYLPROPANAMIDE COMPOUNDS AND USES THEREOF FOR TREATMENT OF PROSTATE CANCER University of Tennessee Research Foundation (US) 2023-02-08 EP disclosed