SCHEMBL22144263

SCHEMBL22144263

O=P(O)(O)CCC[n+]1ccc2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
S1PR3 Q99500 2/20 0.33
ACP1 P24666 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
DDAH1 O94760 1/20 0.32
TYMS P04818 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ACP3 P15309 1/20 0.31
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31

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
SCHEMBL22144095 0.83 MAPT (0.37) ALDH1A1ACP1GAAMAPTDDAH1
SCHEMBL22144096 0.82 ALDH1A1 (0.32) ALDH1A1
Hydrochloric Acid SCHEMBL22124415 0.81 ALDH1A1 (0.36) ALDH1A1ACP1GAAMAPTDDAH1
Hydrochloric Acid SCHEMBL22124948 0.81 MAPT (0.36) ALDH1A1ACP1GAAMAPTDDAH1
Bromide SCHEMBL22124367 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL22124972 0.80 ALDH1A1 (0.30) ALDH1A1
Bromide SCHEMBL28630521 0.79 NPY5R (0.33)
SCHEMBL22144102 0.78 PRNP (0.42) SMN1; SMN2HDAC8
SCHEMBL29390914 0.77 ALDH1A1 (0.35) ALDH1A1GAAMAPTDDAH1NFKB1
SCHEMBL22124414 0.76 ALDH1A1 (0.33) ALDH1A1KMT2AGAAMAPTNFKB1

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
WO-2020127168-A1 HERBICIDAL CINNOLINIUM COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-06-25 WO disclosed