SCHEMBL28545671

SCHEMBL28545671

CC(=O)c1cccc(/N=N/O)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 6/20 0.51
MEN1 O00255 5/20 0.51
MAPT P10636 5/20 0.51
MAPK1 P28482 3/20 0.51
TDP1 Q9NUW8 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
NOS1 P29475 1/20 0.41
STAT3 P40763 1/20 0.40
STAT1 P42224 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL28655754 0.85 MAPT (0.58) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL16488035 0.83 ALDH1A1 (0.50) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL522910 0.82 MAPT (0.57) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL522908 0.82 MAPT (0.57) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL28418792 0.80 NOS1 (0.53) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL30681183 0.80 NOS1 (0.53) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL30681166 0.80 NOS1 (0.53) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL28418793 0.80 NOS1 (0.53) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL7053886 0.80 ALDH1A1 (0.47) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL47337 0.80 KMT2A (0.49) KMT2AALDH1A1MEN1MAPTMAPK1

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
CN-108273478-B Formaldehyde removal composition and product 李怀玉 2021-03-02 CN disclosed