SCHEMBL9313422

SCHEMBL9313422

NCCN(CP(=O)(O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.39
LAP3 P28838 3/20 0.37
ANPEP P15144 3/20 0.37
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ERAP1 Q9NZ08 2/20 0.35
ERAP2 Q6P179 1/20 0.35
CFTR P13569 1/20 0.34
SRC P12931 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA5A P35218 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
SCHEMBL9314442 0.85 NPSR1 (0.44) LAP3ANPEPNPSR1POLBKDM4E
SCHEMBL9313624 0.84 ALDH1A1 (0.40) NPSR1KDM4EMEN1KMT2AHTT
SCHEMBL9313680 0.82 TP53 (0.42) NPSR1MEN1KMT2AHTTALDH1A1
SCHEMBL9315578 0.81 NPSR1 (0.39) NPSR1ALDH1A1
SCHEMBL9100655 0.78 CARM1 (0.45) ADRA2CKDM4EALDH1A1CARM1PRMT6
SCHEMBL9313842 0.78 TSHR (0.50) POLBMEN1KMT2AHTTALDH1A1
SCHEMBL2985617 0.76 NPSR1 (0.42) NPSR1POLBKDM4EMEN1KMT2A
SCHEMBL9315590 0.76 TSHR (0.53) ADRA2CLAP3ANPEPKDM4EKMT2A
Hydrochloric Acid SCHEMBL9314513 0.76 TSHR (0.48) POLBMEN1KMT2AHTTALDH1A1
SCHEMBL9314796 0.74 MTNR1A (0.60) MEN1KMT2AHTT

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