SCHEMBL14287993

SCHEMBL14287993

NCCP(=O)(O)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.75
ALDH1A1 P00352 4/20 0.58
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA5A P35218 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 2/20 0.47
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.43
ALPG P10696 1/20 0.43
ALOX12 P18054 1/20 0.43
NPY1R P25929 1/20 0.43
HTT P42858 1/20 0.43
NPY2R P49146 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTPN2 P17706 2/20 0.42
PTPN1 P18031 2/20 0.42
PTPN4 P29074 2/20 0.42
PTPN9 P43378 2/20 0.42

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
SCHEMBL9340142 0.88 CFTR (0.69) CFTRALDH1A1CA2CA4CA5A
SCHEMBL806049 0.86 CFTR (1.00) CFTRALDH1A1CA2CA4CA5A
SCHEMBL14287997 0.82 CFTR (0.82) CFTRALDH1A1CA2CA4CA5A
SCHEMBL28123560 0.82 CFTR (0.67) CFTRALDH1A1CA2CA4CA5A
SCHEMBL5668125 0.82 CFTR (0.67) CFTRALDH1A1CA2CA4CA5A
SCHEMBL752882 0.80 CFTR (0.78) CFTRALDH1A1CA2CA4CA5A
Phosphine SCHEMBL28019640 0.80 CFTR (0.64) CFTRALDH1A1CA2CA4CA5A
SCHEMBL171269 0.80 CFTR (0.78) CFTRALDH1A1CA2CA4CA5A
Phosphine SCHEMBL27883782 0.78 CFTR (0.75) CFTRALDH1A1CA2CA4CA5A
SCHEMBL14809684 0.78 CFTR (0.75) CFTRALDH1A1CA2CA4CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008017647-A1 A MOLD WITH A METALLIC SURFACE TO WHICH A PRETREATMENT LAYER HAS BEEN APPLIED, COMPRISING A PHOSPHINIC ACID DERIVATIVE BASF SE (DE) 2008-02-14 WO disclosed
EP-1887022-A1 Substrates having metalic surface and pretreatment layer containing a phosphinic acid derivate applied thereon BASF AKTIENGESELLSCHAFT (DE) 2008-02-13 EP disclosed