SCHEMBL8554027

SCHEMBL8554027

CCCC[Sn](CCCC)(CCCC)c1cnc(CC)n1C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.31
TLR8 Q9NR97 2/20 0.31

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
SCHEMBL1428068 0.81 ALDH1A1 (0.37) ALDH1A1
SCHEMBL30926360 0.69 PDE1C (0.42)
SCHEMBL15742051 0.68 ABCB1 (0.39) ALDH1A1LMNANPSR1TSHR
SCHEMBL253489 0.68 TBXAS1 (0.31)
SCHEMBL1529995 0.68 TOP2A (0.30)
SCHEMBL29172743 0.67 ALDH1A1 (0.31) ALDH1A1
SCHEMBL329148 0.66 TSHR (0.41) ALDH1A1LMNATSHRTLR8
SCHEMBL320009 0.65
SCHEMBL376385 0.65 ADORA3 (0.39) NPSR1
SCHEMBL6218692 0.65 BACE1 (0.40) ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846986-A Therapeutic phenoxyalkylazoles and phenoxyalkylazines SANOFI (FR) 1998-12-08 US disclosed
US-5721261-A TREATING PICORNAVIRUS INFECTIONS SANOFI PHARMACEUTICALS, INC. (US) 1998-02-24 US disclosed
US-5552420-A TREATING PICORNAVIRAL INFECTIONS STERLING WINTHROP INC. (US) 1996-09-03 US disclosed
WO-1995031452-A1 THERAPEUTIC PHENOXYALKYLAZOLES AND PHENOXYALKYLAZINES SANOFI WINTHROP, INC. (US) 1995-11-23 WO disclosed