SCHEMBL20040969

SCHEMBL20040969

N#Cc1ccc(NC=O)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.55
TAS2R14 Q9NYV8 1/20 0.52
CNR2 P34972 1/20 0.49
AR P10275 13/20 0.49
TRPA1 O75762 1/20 0.45

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
SCHEMBL546977 0.88 SLC22A12 (0.56) SLC22A12TAS2R14CNR2AR
SCHEMBL10155141 0.83 SLC22A12 (0.51) SLC22A12TAS2R14ARTRPA1
SCHEMBL14919155 0.80 SLC22A12 (0.55) SLC22A12TAS2R14CNR2ARTRPA1
SCHEMBL8210097 0.79 SLC22A12 (0.54) SLC22A12TAS2R14ARTRPA1
SCHEMBL2973749 0.79 AR (0.54) SLC22A12TAS2R14ARTRPA1
SCHEMBL20179096 0.79 SLC22A12 (0.54) SLC22A12TAS2R14ARTRPA1
SCHEMBL17658051 0.79 BLM (0.63) SLC22A12TAS2R14AR
SCHEMBL8410428 0.78 ALDH1A1 (0.44) SLC22A12
Hydrochloric Acid SCHEMBL552509 0.78 SLC22A12 (0.52) SLC22A12TAS2R14ARTRPA1
SCHEMBL5247689 0.78 TAS2R14 (0.60) SLC22A12TAS2R14AR

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
WO-2020243373-A1 SELECTIVE ANDROGEN RECEPTOR DEGRADER (SARD) LIGANDS AND METHODS OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2020-12-03 WO disclosed
EP-2864289-B1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTED AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS CB THERAPEUTICS INC (KY) 2018-04-11 EP disclosed