SCHEMBL22564083

SCHEMBL22564083

C=C(C)c1cccc(C(N)=O)c1COc1ccn(S)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.31
TBXAS1 P24557 1/20 0.31
PARP1 P09874 5/20 0.30
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
HDAC3 O15379 1/20 0.30
KDR P35968 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL22564475 0.89 NR1H4 (0.36) NR1H4KDM4E
SCHEMBL22564325 0.88 NR1H4 (0.32) NR1H4
SCHEMBL22564348 0.88 NR1H4 (0.32) NR1H4
SCHEMBL22564026 0.87 KDM4E (0.35) SMN1; SMN2KMT2AMEN1KDM4ETP53
SCHEMBL18504745 0.87 PARP1 (0.32) SMN1; SMN2TBXAS1PARP1KMT2AMEN1
SCHEMBL22564147 0.86 NR1H4 (0.31) NR1H4
SCHEMBL22564206 0.86 LIG1 (0.33) HDAC8
SCHEMBL22564263 0.86 KDM4E (0.30) KDM4E
SCHEMBL22564533 0.86 CD38 (0.37) PARP1KMT2ANPC1RAB9ALMNA
SCHEMBL22564294 0.85 TSHR (0.40) TBXAS1KDM4EMAPK10LMNA

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