SCHEMBL5323949

SCHEMBL5323949

CC(C)Cc1[nH]nnc1I

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 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
SCHEMBL5345202 0.76 TSHR (0.33) TSHR
SCHEMBL5285023 0.76 TSHR (0.33) TSHR
SCHEMBL5278220 0.74 TSHR (0.32) TSHR
SCHEMBL5324882 0.74 TSHR (0.32) TSHR
SCHEMBL5278645 0.74 TSHR (0.32) TSHR
SCHEMBL5324148 0.72 TSHR (0.31) TSHR
SCHEMBL24666095 0.71 TSHR (0.31) TSHR
SCHEMBL5279991 0.71 TSHR (0.31) TSHR
SCHEMBL24666917 0.71 TSHR (0.31) TSHR
SCHEMBL5280448 0.69

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