SCHEMBL18503083

SCHEMBL18503083

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.36
KLKB1 P03952 1/20 0.31
CMA1 P23946 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MRGPRX4 Q96LA9 1/20 0.30
APEX1 P27695 1/20 0.30
NAPRT Q6XQN6 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
SCHEMBL18504475 0.89 KLKB1 (0.33) NR1H4KLKB1
SCHEMBL18504674 0.89 KLKB1 (0.33) NR1H4KLKB1
SCHEMBL18504783 0.89 PARP1 (0.32) NR1H4KLKB1KMT2A
SCHEMBL18500393 0.88 NR1H4 (0.41) NR1H4APEX1
SCHEMBL18504844 0.87 KLKB1 (0.33) KLKB1
SCHEMBL18504522 0.87 KDM4E (0.36) KLKB1ALDH1A1GAAKMT2ATDP1
SCHEMBL22563852 0.87 NR1H4 (0.35) NR1H4KLKB1CMA1
SCHEMBL18504612 0.86 KLKB1 (0.35) NR1H4KLKB1
SCHEMBL18504624 0.85 TSHR (0.39) ALDH1A1KMT2ATDP1
SCHEMBL18504976 0.85 MAPT (0.36) NR1H4KLKB1ALDH1A1KMT2A

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