SCHEMBL17413874

SCHEMBL17413874

CNC(=O)C1=C(C)NC(=O)NC1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
GUSB P08236 1/20 0.55
GAA P10253 2/20 0.50
HSD17B10 Q99714 1/20 0.50
USP2 O75604 1/20 0.49
ALDH1A1 P00352 4/20 0.48
TP53 P04637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ADORA2B P29275 1/20 0.45
MAPT P10636 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
SCHEMBL2572783 0.85 TSHR (0.66) TSHRGUSBGAAHSD17B10USP2
SCHEMBL17413884 0.84 TSHR (0.71) TSHRGUSBGAAHSD17B10USP2
SCHEMBL17413873 0.82 TSHR (0.68) TSHRGUSBHSD17B10USP2ALDH1A1
SCHEMBL19752621 0.80 TSHR (0.76) TSHRGUSBGAAHSD17B10ALDH1A1
SCHEMBL19752620 0.80 TSHR (0.76) TSHRGUSBGAAHSD17B10ALDH1A1
SCHEMBL2569551 0.76 GRK2 (0.81)
SCHEMBL10113416 0.76 ADORA2B (0.66) TSHRGUSBGAAHSD17B10CA12
SCHEMBL17413871 0.75 TSHR (1.00) TSHRGAAUSP2ALDH1A1KDM4E
SCHEMBL17413861 0.74 TSHR (0.67) TSHRGUSBUSP2ALDH1A1KDM4E
SCHEMBL2567107 0.74 GRK2 (0.77)

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
WO-2016004028-A1 2-OXOPYRIMIDINE-5-CARBOXYLATE DERIVATIVES FOR TREATING THYROID DISEASES LATIF RAUF (US) 2016-01-07 WO disclosed