SCHEMBL22563968

SCHEMBL22563968

CCCc1cccc(C(=O)OC(C)C)c1COc1ccn(S)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 2/20 0.32
GABRA5 P31644 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
JMJD6 Q6NYC1 1/20 0.32
ALDH1A1 P00352 3/20 0.32
NR1H4 Q96RI1 2/20 0.31
LMNA P02545 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 1/20 0.31
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31

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
SCHEMBL22564043 0.93 NPC1 (0.35) NPC1KMT2AMAPTNPSR1KDM4E
SCHEMBL18504272 0.90 NPC1 (0.34) NPC1KMT2AMAPTNPSR1KDM4E
SCHEMBL22564036 0.89 NPC1 (0.34) NPC1KMT2AMAPTNPSR1KDM4E
SCHEMBL22564198 0.89 ALDH1A1 (0.36) KMT2AMAPTKDM4EPOLBL3MBTL1
SCHEMBL22564298 0.88 TSHR (0.39) MAPTGABRA5JMJD6ALDH1A1LMNA
SCHEMBL22564437 0.87 ALDH1A1 (0.42) MAPTL3MBTL1JMJD6ALDH1A1LMNA
SCHEMBL22564276 0.86 FOLH1 (0.35) NR1H4
SCHEMBL22564537 0.85 PDE5A (0.32) GABRA5
SCHEMBL22563906 0.85 LTB4R (0.32) NR1H4
SCHEMBL22564290 0.85 MEN1 (0.34) KMT2AMAPTKDM4EALDH1A1LMNA

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