SCHEMBL18504655

SCHEMBL18504655

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
RAB9A P51151 9/20 0.33
NR1H4 Q96RI1 4/20 0.33
POLB P06746 3/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
TP53 P04637 1/20 0.32
NPC1 O15118 6/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.30
HSP90AA1 P07900 1/20 0.30
LPAR2 Q9HBW0 1/20 0.30
LPAR3 Q9UBY5 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
PRNP P04156 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
SCHEMBL18504742 0.90
SCHEMBL18505000 0.90
SCHEMBL18504786 0.90 PARP1 (0.30)
SCHEMBL18504170 0.89 HSD17B10 (0.37) CYP1A2RAB9ANR1H4LMNATP53
SCHEMBL18504778 0.88
SCHEMBL18504957 0.88 POLB (0.40) RAB9APOLBLMNATP53NPC1
SCHEMBL18504765 0.88 PDE5A (0.31)
SCHEMBL22563961 0.88 NR1H4 (0.33) CYP1A2RAB9ANR1H4POLBLMNA
SCHEMBL18504803 0.87
SCHEMBL18500660 0.86 TSHR (0.37) POLBLMNAALDH1A1SMN1; SMN2

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