SCHEMBL17413873

SCHEMBL17413873

CC1=C(C(=O)NCc2ccccc2)C(c2ccc(C(F)(F)F)cc2)NC(=O)N1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.68
ALDH1A1 P00352 4/20 0.58
PKM P14618 1/20 0.58
HSD17B10 Q99714 3/20 0.56
HTT P42858 1/20 0.52
MAOA P21397 1/20 0.51
USP2 O75604 1/20 0.50
GRK2 P25098 1/20 0.50
GRK5 P34947 1/20 0.50
ROCK1 Q13464 1/20 0.50
GRK1 Q15835 1/20 0.50
GUSB P08236 1/20 0.50
HPGD P15428 1/20 0.49

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
SCHEMBL17413884 0.84 TSHR (0.71) TSHRALDH1A1HSD17B10USP2GRK2
SCHEMBL17413874 0.82 TSHR (0.59) TSHRALDH1A1HSD17B10USP2GUSB
SCHEMBL17413871 0.81 TSHR (1.00) TSHRALDH1A1PKMUSP2
SCHEMBL2572783 0.80 TSHR (0.66) TSHRALDH1A1HSD17B10USP2GUSB
SCHEMBL17413861 0.80 TSHR (0.67) TSHRALDH1A1USP2GUSB
SCHEMBL7690354 0.76 ALDH1A1 (0.66) ALDH1A1PKMHSD17B10GUSB
SCHEMBL19752621 0.75 TSHR (0.76) TSHRALDH1A1PKMHSD17B10GUSB
SCHEMBL19752620 0.75 TSHR (0.76) TSHRALDH1A1PKMHSD17B10GUSB
SCHEMBL16366977 0.75 HTT (0.69) TSHRALDH1A1PKMHSD17B10HTT
SCHEMBL11979758 0.72 MAPK14 (0.76) MAOAROCK1HPGD

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