Sugi Predict

Sugi Predict / Compounds / SCHEMBL13844014

SCHEMBL13844014

SCHEMBL13844014

CCN(c1nncs1)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.43
▸ MAP4K1 Q92918 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ FBP1 P09467 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
SCHEMBL19997206 0.72 TSHR (0.38) TSHRFBP1
SCHEMBL13844015 0.69 FFAR2 (0.35) TSHRFBP1
SCHEMBL1998752 0.62 TSHR (0.44) TSHR
SCHEMBL2475110 0.61 TSHR (0.43) TSHRCYP1A2FBP1
SCHEMBL12873564 0.60 TAAR1 (0.36) TSHR
SCHEMBL20506742 0.59 TLR8 (0.33) TSHRCYP1A2FBP1
SCHEMBL1101930 0.58 — —
SCHEMBL1106999 0.58 — —
SCHEMBL17247674 0.58 IGLV6-57 (0.33) —
SCHEMBL17240077 0.58 IGLV6-57 (0.33) —

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-7528163-B2 N,N-Dibutyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxy-1H-indazol-1-yl]acetamide; potassium channel blocker; eye neuroprotectant; hypotensive agent; glaucoma, intraoccular pressure in the eye MERCK & CO. INC. (US) 2009-05-05 — — US disclosed
US-7528163-B2 N,N-Dibutyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxy-1H-indazol-1-yl]acetamide; potassium channel blocker; eye neuroprotectant; hypotensive agent; glaucoma, intraoccular pressure in the eye MERCK & CO. INC. (US) 2009-05-05 — — US disclosed