SCHEMBL8890220

SCHEMBL8890220

COC(=O)C1=CC(=CBr)CC=C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9020084 0.85
SCHEMBL23279760 0.78
SCHEMBL4377359 0.75 LMNA (0.33) SETD7LMNATSHRALDH1A1
SCHEMBL10159622 0.74 TSHR (0.34) LMNATSHRALDH1A1
SCHEMBL9335201 0.71 LMNA (0.31) LMNATSHRALDH1A1
SCHEMBL7890961 0.68 SIGMAR1 (0.40) SETD7
SCHEMBL16810704 0.65
SCHEMBL896075 0.63 CHRM3 (0.39) LMNATSHRALDH1A1
SCHEMBL16599541 0.62 CA1 (0.36) LMNATSHR
SCHEMBL6813512 0.61 CHRM3 (0.31) LMNAALDH1A1

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
US-5602277-A Substituted benzene derivatives useful as neuraminidase inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 1997-02-11 US disclosed
WO-1996030329-A1 SUBSTITUTED BENZENE DERIVATIVES USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS, INCORPORATED (US) 1996-10-03 WO disclosed