SCHEMBL5280747

SCHEMBL5280747

CC(C)Cc1nn[nH]c1Br

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.32
HIF1A Q16665 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5285023 0.76 TSHR (0.33) TSHRGAAHIF1ASMN1; SMN2
SCHEMBL5322545 0.74 HTT (0.33) TSHRGAAHIF1ASMN1; SMN2
SCHEMBL5275207 0.74 TSHR (0.32) TSHRGAAHIF1ASMN1; SMN2
Bromide SCHEMBL10790708 0.73
SCHEMBL5278709 0.71
SCHEMBL5275796 0.71 HTT (0.38) TSHRGAAHIF1ASMN1; SMN2
SCHEMBL5324882 0.70 TSHR (0.32) TSHR
SCHEMBL5277385 0.69
SCHEMBL5279745 0.69 HCAR3 (0.30)
SCHEMBL5274169 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed