SCHEMBL18504470

SCHEMBL18504470

O=C(NO)c1cccc(OC(F)F)c1COc1ccn(O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.35
ALDH1A1 P00352 8/20 0.35
LMNA P02545 7/20 0.35
HTT P42858 6/20 0.35
MAPT P10636 5/20 0.35
TDP1 Q9NUW8 1/20 0.35
LIG1 P18858 2/20 0.34
KLKB1 P03952 1/20 0.34
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALPL P05186 1/20 0.33
ALOX15 P16050 1/20 0.33
GFER P55789 1/20 0.33
ADAM17 P78536 1/20 0.33
P2RX7 Q99572 1/20 0.33
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL18504636 0.91 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL18505061 0.89 KCNK3 (0.35) MAPTLIG1KDM4EMEN1KMT2A
SCHEMBL22564099 0.88 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL18504924 0.88 TAS2R14 (0.36) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL18504241 0.87 KLKB1 (0.36) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL18504446 0.87 ROCK2 (0.35) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL18504984 0.87 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL18504866 0.87 LIG1 (0.36) LIG1
SCHEMBL18504995 0.87 KLKB1 (0.34) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL18504654 0.86 NPC1 (0.37) SMN1; SMN2LMNALIG1NPC1RAB9A

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