SCHEMBL9817551

SCHEMBL9817551

COc1ccc(N=Nc2cc(OCCCO)cc(C(C)(C)C)c2O)c([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 8/20 0.37
KDM4E B2RXH2 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.34
ABCB1 P08183 1/20 0.34
ABCC1 P33527 1/20 0.34
HTT P42858 2/20 0.34
GALR3 O60755 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 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
SCHEMBL23636587 0.88 PSEN1 (0.37) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3480794 0.87 SMN1; SMN2 (0.34) KMT2AMEN1ALDH1A1KDM4ECA1
SCHEMBL13021497 0.85 MEN1 (0.42) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL8397410 0.84 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL9514033 0.83 CA1 (0.34) KMT2AMEN1ALDH1A1KDM4ECA1
SCHEMBL23636597 0.82 PSEN1 (0.39) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL11876393 0.82 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1KDM4ECA1
SCHEMBL11876401 0.82 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1KDM4ECA1
SCHEMBL1336669 0.80 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1KDM4ECA1
SCHEMBL8773780 0.79 PTGS2 (0.40) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2

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
EP-0274844-B1 ULTRAVIOLET ABSORBING POLYMERS COMPRISING 2-(2'-HYDROXY 5'-ACRYLOYLOXYALKOXYPHENYL)-2H-BENZOTRIAZOLE IOLAB CORPORATION (US) 1991-11-06 EP disclosed
US-4716234-A Ultraviolet absorbing polymers comprising 2-(2'-hydroxy-5'-acryloyloxyalkoxyphenyl)-2H-benzotriazole IOLAB CORPORATION (US) 1987-12-29 US disclosed