SCHEMBL9313624

SCHEMBL9313624

O=P(O)(O)CN(CCO)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PABPC1 P11940 1/20 0.36
CFTR P13569 1/20 0.35
SRC P12931 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
Phosphoric Acid SCHEMBL1515624 0.86 GAA (0.42) ALDH1A1GAANPSR1HPGDHDAC3
SCHEMBL9314442 0.86 NPSR1 (0.44) ALDH1A1NPSR1HPGDKDM4EMEN1
SCHEMBL9313680 0.84 TP53 (0.42) ALDH1A1NPSR1HDAC6MEN1KMT2A
SCHEMBL9313422 0.84 ADRA2C (0.39) ALDH1A1NPSR1KDM4EMEN1KMT2A
SCHEMBL9315578 0.82 NPSR1 (0.39) ALDH1A1NPSR1L3MBTL1MAPTSMN1; SMN2
Pyrophosphoric Acid SCHEMBL1307713 0.80 ALDH1A1 (0.39) ALDH1A1GAANPSR1HPGDHDAC3
SCHEMBL78451 0.80 KDM4E (0.46) ALDH1A1GAANPSR1HDAC3HDAC4
SCHEMBL9313842 0.79 TSHR (0.50) ALDH1A1GAAMEN1KMT2AHTT
SCHEMBL2985617 0.78 NPSR1 (0.42) ALDH1A1NPSR1KDM4EMEN1KMT2A
SCHEMBL9315590 0.78 TSHR (0.53) ALDH1A1HPGDKDM4EKMT2AHTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5315035-A Hydrogen peroxide detection BOEHRINGER MANNHEIM GMBH (DE) 1994-05-24 US claimed
US-5315035-A Hydrogen peroxide detection BOEHRINGER MANNHEIM GMBH (DE) 1994-05-24 US disclosed
US-5084382-A A color former with an oxidizable coupler for detection of hydrogen peroxide or hydrogen peroxide forming system or peroxidase or oxidizers for amine detection BOEHRINGER MANNHEIM GMBH (DE) 1992-01-28 US disclosed
EP-0175250-B1 AGENT AND PROCESS FOR THE DETERMINATION OF REDOX SYSTEMS Roche Diagnostics GmbH (DE) 1990-05-09 EP disclosed
US-4820632-A ANILINE DERIVATIVE AND OXIDIZABLE COUPLER COLORED COMPOUND FOR DETECTION OF HYDROGEN PEROXIDE; MEDICAL DIAGNOSIS BOEHRINGER MANNHEIM GMBH (DE) 1989-04-11 US disclosed
EP-0175250-A2 Agent and process for the determination of redox systems Roche Diagnostics GmbH (DE) 1986-03-26 EP disclosed