SCHEMBL27300024

SCHEMBL27300024

O=P(NCl)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA5A P35218 1/20 0.46
LMNA P02545 1/20 0.42
CFTR P13569 1/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALPG P10696 1/20 0.39
ALOX12 P18054 1/20 0.39
NPY1R P25929 1/20 0.39
HTT P42858 1/20 0.39
NPY2R P49146 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KCNA5 P22460 1/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL13109422 0.78 CA2 (0.50) CA2CA4CA5ALMNACFTR
SCHEMBL524346 0.78 CA2 (0.50) CA2CA4CA5ALMNACFTR
SCHEMBL30604627 0.76 CA2 (0.48) CA2CA4CA5ALMNACFTR
Potassium SCHEMBL30627046 0.76 CA2 (0.48) CA2CA4CA5ALMNACFTR
SCHEMBL524587 0.74 CA2 (0.46) CA2CA4CA5ALMNACFTR
SCHEMBL9617518 0.74 CA2 (0.52) CA2CA4CA5ALMNACFTR
SCHEMBL647195 0.74 CA2 (0.52) CA2CA4CA5ALMNACFTR
Triphenylphosphine Oxide SCHEMBL513223 0.74 CA2 (0.58) CA2CA4CA5ALMNACFTR
Triphenylphosphine Oxide SCHEMBL3949 0.74 CA2 (0.58) CA2CA4CA5ALMNACFTR
Triphenylphosphine Oxide SCHEMBL8945859 0.72 CA2 (0.50) CA2CA4CA5ALMNACFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1313280-A Benzheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 2001-09-19 CN disclosed
CN-1048484-C A process for preparing a composition containing benzoheterocycles OTSUKA PHARMA CO LTD (JP) 2000-01-19 CN disclosed
CN-1036394-C Process for preparing quinolone derivatives OTSUKA PHARMA CO LTD (JP) 1997-11-12 CN disclosed
CN-1035670-C Benzoheterocyclic compounds OTSUKA PHARMA CO LTD (JP) 1997-08-20 CN disclosed