SCHEMBL18504774

SCHEMBL18504774

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.37
CA5A P35218 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
CD38 P28907 2/20 0.36
MAPK8 P45983 1/20 0.36
HTT P42858 2/20 0.34
MAPT P10636 1/20 0.34
ALKBH1 Q13686 1/20 0.34
PARP15 Q460N3 3/20 0.34
PARP10 Q53GL7 3/20 0.34
AURKA O14965 2/20 0.34
RPS6KB1 P23443 2/20 0.34
LMNA P02545 1/20 0.34
PDPK1 O15530 1/20 0.33
PARP1 P09874 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL18500953 0.89 ALKBH1 (0.40) TDP1MAPTALKBH1ALDH1A1KMT2A
SCHEMBL18504987 0.88 ALDH1A1 (0.40) TDP1MAPTALKBH1ALDH1A1KMT2A
SCHEMBL18504735 0.88 TDP1 (0.36) TDP1ALKBH1ALDH1A1KMT2AATM
SCHEMBL22564128 0.86 KLKB1 (0.37) KLKB1CA5ATDP1CD38MAPK8
SCHEMBL18504769 0.85 MEN1 (0.36) PARP15PARP10AURKARPS6KB1PDPK1
SCHEMBL18504865 0.85 HDAC1 (0.36) TDP1ALKBH1LMNAKMT2AGUCY1B2
SCHEMBL18504220 0.85 KMT2A (0.40) TDP1MAPTLMNAALDH1A1KMT2A
SCHEMBL18504744 0.85 SGMS2 (0.36) KLKB1TDP1HTTALKBH1LMNA
SCHEMBL18504552 0.85 POLB (0.36) MAPTPARP15PARP10AURKARPS6KB1
SCHEMBL18504705 0.85 PARP1 (0.38) TDP1CD38MAPTLMNAPARP1

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