SCHEMBL18504783

SCHEMBL18504783

NC(=O)c1cccc(C(F)F)c1COc1ccn(O)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.32
PARP2 Q9UGN5 1/20 0.32
PARP3 Q9Y6F1 1/20 0.32
KLKB1 P03952 1/20 0.31
TBXAS1 P24557 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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

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
SCHEMBL18503083 0.89 NR1H4 (0.36) KLKB1KMT2ANR1H4
SCHEMBL18504475 0.88 KLKB1 (0.33) KLKB1NR1H4
SCHEMBL18504533 0.88 NR1H4 (0.35) PARP1PARP2PARP3MEN1KMT2A
SCHEMBL18504674 0.88 KLKB1 (0.33) KLKB1NR1H4
SCHEMBL22564140 0.87 PARP1 (0.32) PARP1PARP2PARP3KLKB1TBXAS1
SCHEMBL18504522 0.86 KDM4E (0.36) KLKB1KMT2A
SCHEMBL18504844 0.86 KLKB1 (0.33) KLKB1HDAC8
SCHEMBL18504612 0.85 KLKB1 (0.35) KLKB1NR1H4
SCHEMBL18504624 0.84 TSHR (0.39) TBXAS1KMT2A
SCHEMBL18504976 0.84 MAPT (0.36) KLKB1KMT2ANR1H4

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