SCHEMBL18504745

SCHEMBL18504745

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
TBXAS1 P24557 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC3 O15379 1/20 0.31
KDR P35968 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 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
SCHEMBL18504644 0.89 NR1H4 (0.36) NR1H4KDM4E
SCHEMBL18504725 0.88 NR1H4 (0.33) NR1H4
SCHEMBL18504739 0.88 NR1H4 (0.33) NR1H4
SCHEMBL22564083 0.87 SMN1; SMN2 (0.31) PARP1SMN1; SMN2TBXAS1KMT2AMEN1
SCHEMBL18504956 0.87 KDM4E (0.36) SMN1; SMN2KMT2AMEN1KDM4ELMNA
SCHEMBL18504466 0.86 LIG1 (0.34) SMN1; SMN2HDAC6HDAC3HDAC1HDAC2
SCHEMBL18504550 0.85 KDM4E (0.30) KDM4E
SCHEMBL18504397 0.85 CD38 (0.37) PARP1KMT2ALMNAMAPTNPC1
SCHEMBL18504746 0.85 NR1H4 (0.31) NR1H4TP53
SCHEMBL18504657 0.85 TSHR (0.40) TBXAS1KDM4ELMNAMAPK10

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-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed