SCHEMBL29906219

SCHEMBL29906219

O=C(O)c1ccc2cccnc2c1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
LMNA P02545 4/20 0.55
ALOX12 P18054 1/20 0.55
KDM4E B2RXH2 5/20 0.52
MAPT P10636 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
CYP3A4 P08684 2/20 0.52
ALOX15 P16050 2/20 0.52
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GMNN O75496 1/20 0.52
TP53 P04637 1/20 0.52
HSP90AA1 P07900 1/20 0.52
MMP2 P08253 1/20 0.52
CYP2D6 P10635 1/20 0.52
MMP9 P14780 1/20 0.52
NFKB1 P19838 1/20 0.52
MMP8 P22894 1/20 0.52
CCR1 P32246 1/20 0.52
THPO P40225 1/20 0.52

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
SCHEMBL69869 1.00 ALDH1A1 (0.70) ALDH1A1LMNAALOX12KDM4EMAPT
SCHEMBL9309652 0.87 ALDH1A1 (0.58) ALDH1A1LMNAALOX12KDM4EMAPT
SCHEMBL16383149 0.82 ALDH1A1 (0.70) ALDH1A1LMNAALOX12KDM4EMAPT
SCHEMBL1759043 0.82 ALDH1A1 (1.00) ALDH1A1LMNAALOX12KDM4ETP53
SCHEMBL31057838 0.82 ALDH1A1 (0.60) ALDH1A1LMNAALOX12KDM4EMAPT
SCHEMBL16040593 0.82 ALDH1A1 (0.60) ALDH1A1LMNAALOX12KDM4EMAPT
SCHEMBL999633 0.81 ALDH1A1 (0.68) ALDH1A1LMNAALOX12KDM4EMAPT
SCHEMBL9139640 0.81 ALDH1A1 (0.97) ALDH1A1LMNAALOX12KDM4ETP53
SCHEMBL11430231 0.81 LMNA (0.56) ALDH1A1LMNAALOX12KDM4EMAPT
SCHEMBL9197665 0.81 ALDH1A1 (0.54) ALDH1A1LMNAALOX12KDM4EMAPT

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-4054740-A1 REMOVAL OF VOCS AND FINE PARTICULATE MATTER BY METAL ORGANIC FRAMEWORKS COATED ELECTRET MEDIA (E-MOFILTER) Virginia Commonwealth University Intellectual Property Foundation (US) 2022-09-14 EP disclosed