SCHEMBL8671546

SCHEMBL8671546

O=[N+]([O-])c1ccc(CCN(Cc2ccccc2)CC(O)c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.51
BCHE P06276 2/20 0.51
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 2/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
CACNA1C Q13936 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOB P27338 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL11522735 0.91 ABCG2 (0.49) KCNH2ALDH1A1MAPTMEN1KMT2A
SCHEMBL19245593 0.88 CA12 (0.47) KCNH2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL19212464 0.88 CA12 (0.47) KCNH2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL6621881 0.88 CA12 (0.47) KCNH2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL17177095 0.81 KCNH2 (0.49) KCNH2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL17164147 0.81 KCNH2 (0.49) KCNH2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL7692471 0.81 ALDH1A1 (0.60) KCNH2ALDH1A1MAPTMEN1KMT2A
SCHEMBL28373072 0.81 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL16796535 0.81 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL19245780 0.80 CA12 (0.47) KCNH2ALDH1A1MEN1KMT2A

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
JP-10218861-A None JP disclosed
JP-H10218861-A NEW PHENETHANOL DERIVATIVE OR ITS SALT YAMANOUCHI PHARMACEUT CO LTD 1998-08-18 JP disclosed