SCHEMBL11703246

SCHEMBL11703246

CCCCc1nnc(NC(=O)N(C)CCC=O)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.54
▸ TSHR P16473 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.49
▸ CYP2C9 P11712 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ GLS O94925 1/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GAPDH P04406 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ NR4A1 P22736 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ PTPN7 P35236 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL11689676 0.80 TP53 (0.49) ALDH1A1KDM4EHSD17B10MEN1POLB
SCHEMBL11690673 0.77 CA1 (0.43) MEN1POLBBLMKMT2ATDP1
SCHEMBL11687601 0.77 SMN1; SMN2 (0.52) ALDH1A1TSHRCYP2C9KDM4EMEN1
SCHEMBL11707860 0.77 NPSR1 (0.54) ALDH1A1TSHRNPSR1CYP2C9GLS
SCHEMBL11634995 0.76 POLB (0.51) TSHRNPSR1HSD17B10MEN1POLB
SCHEMBL11706516 0.76 NPSR1 (0.56) ALDH1A1TSHRNPSR1CYP2C9GLS
SCHEMBL11669564 0.75 ALDH1A1 (0.51) ALDH1A1CYP2C9HSD17B10MEN1POLB
SCHEMBL11670623 0.75 ALDH1A1 (0.54) ALDH1A1TSHRNPSR1HSD17B10MEN1
SCHEMBL11669924 0.75 ALDH1A1 (0.54) ALDH1A1TSHRNPSR1HSD17B10MEN1
SCHEMBL11856846 0.73 ALDH1A1 (0.58) ALDH1A1TSHRNPSR1CYP2C9GLS

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
US-4006009-A 1-Thiadiazolyl-6-acyloxytetrahydropyrimidinone herbicides VELSICOL CHEMICAL CORPORATION (US) 1977-02-01 — — US disclosed
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