SCHEMBL22563864

SCHEMBL22563864

CCOC(=O)c1cccc(CF)c1COc1ccn(S)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
JMJD6 Q6NYC1 1/20 0.38
GABRA5 P31644 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 1/20 0.35
TBXAS1 P24557 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
TP53 P04637 2/20 0.34
CDC25B P30305 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL22564296 0.92 TSHR (0.41) TSHRJMJD6GABRA5MRGPRX4ALDH1A1
SCHEMBL22564032 0.92 ALDH1A1 (0.41) TSHRJMJD6ALDH1A1HSD17B10LMNA
SCHEMBL22564298 0.89 TSHR (0.39) TSHRJMJD6GABRA5MRGPRX4ALDH1A1
SCHEMBL22563909 0.89 ALDH1A1 (0.34) MRGPRX4ALDH1A1LMNATDP1TP53
SCHEMBL18504279 0.88 TSHR (0.40) TSHRJMJD6GABRA5MRGPRX4ALDH1A1
SCHEMBL22563850 0.87 JMJD6 (0.44) TSHRJMJD6GABRA5ALDH1A1LMNA
SCHEMBL22564101 0.87 TSHR (0.42) TSHRJMJD6GABRA5ALDH1A1HSD17B10
SCHEMBL22564036 0.86 NPC1 (0.34) TSHRJMJD6GABRA5ALDH1A1HSD17B10
SCHEMBL22564497 0.86 TBXAS1 (0.39) TSHRJMJD6GABRA5ALDH1A1HSD17B10
SCHEMBL22563845 0.85 FOLH1 (0.34) MRGPRX4ALDH1A1TP53HTT

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
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed