SCHEMBL10180676

SCHEMBL10180676

[N-]=[N+]=C(c1ccccc1)c1ccc(CP(=O)(O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 5/20 0.44
PGK2 P07205 5/20 0.44
ENPP2 Q13822 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
DUSP22 Q9NRW4 1/20 0.35
LAP3 P28838 2/20 0.35
ANPEP P15144 1/20 0.35

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
SCHEMBL9440234 0.79 ALDH1A1 (0.54) PGK1PGK2HPGD
Benzophenone SCHEMBL16238911 0.79 ALDH1A1 (0.54) PGK1PGK2HPGD
SCHEMBL7116056 0.78 CES2 (0.43) HPGDTSHRCES2CES1
SCHEMBL3219904 0.77 KDM4E (0.35) HPGDTSHR
SCHEMBL3207192 0.77 TSHR (0.50) TSHRCES2CES1
Benzylphosphonic Acid SCHEMBL44318 0.75 HPGD (0.60) PGK1PGK2HPGDTSHRLAP3
SCHEMBL81262 0.75 CES1 (0.41) HPGDTSHRCES2CES1
Hydrogen Peroxide SCHEMBL27715852 0.75 CES1 (0.41) HPGDTSHRCES2CES1
SCHEMBL28285515 0.75 CES1 (0.41) HPGDTSHRCES2CES1
Benzylphosphonic Acid SCHEMBL915222 0.73 HPGD (0.58) PGK1PGK2HPGDTSHRLAP3

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
EP-2054465-B1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ISIS INNOVATION (GB) 2012-07-11 EP claimed