SCHEMBL672749

SCHEMBL672749

CC(C)(C)N(Cc1nc(C(F)(F)F)n[nH]1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL671737 0.88 TDP1 (0.32) TDP1MEN1HTTKMT2AL3MBTL1
SCHEMBL5116803 0.71 ROCK2 (0.50)
SCHEMBL25244288 0.69 MEN1 (0.33) TDP1MEN1HTTKMT2AL3MBTL1
SCHEMBL18969628 0.69 BRS3 (0.33)
SCHEMBL14642680 0.68 RAB9A (0.35)
SCHEMBL23934320 0.65 GLA (0.39) MEN1KMT2A
SCHEMBL7478096 0.65 MEN1 (0.50) TDP1MEN1KMT2A
SCHEMBL13066532 0.64
SCHEMBL22143183 0.64
SCHEMBL16616069 0.64 MEN1 (0.40) TDP1MEN1HTTKMT2AL3MBTL1

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
EP-2606033-A1 SUBSTITUTED CYCLIC CARBOXAMIDE AND UREA DERIVATIVES AS LIGANDS OF THE VANILLOID RECEPTOR Grünenthal GmbH (DE) 2013-06-26 EP disclosed
WO-2012022487-A1 SUBSTITUTED CYCLIC CARBOXAMIDE AND UREA DERIVATIVES AS LIGANDS OF THE VANILLOID RECEPTOR Grünenthal GmbH (DE) 2012-02-23 WO disclosed