SCHEMBL19427441

SCHEMBL19427441

O=C(Cc1ccc(O)cc1O)Nc1cc(O)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ TYR P14679 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ EGFR P00533 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ CAMK2A Q9UQM7 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL19427485 0.90 KMT2A (0.51) MEN1KMT2ATYRKDM4EALDH1A1
SCHEMBL19427447 0.83 CYP1A1 (0.54) MEN1KMT2ATYRGAAEGFR
SCHEMBL19427719 0.81 EGFR (0.50) MEN1KMT2AEGFRKDM4EALDH1A1
SCHEMBL18196942 0.80 POLB (0.50) MEN1KMT2AGAAPOLBMAPT
SCHEMBL14430163 0.79 HSP90AB1 (0.50) MEN1KMT2ATYRLMNAGAA
SCHEMBL29914686 0.79 POLB (0.53) MEN1KMT2ALMNAGAAPOLB
SCHEMBL3755148 0.79 POLB (0.53) MEN1KMT2ALMNAGAAPOLB
SCHEMBL7794270 0.76 GAA (0.53) MEN1KMT2ATYRGAAPOLB
SCHEMBL4653992 0.76 TYR (0.56) MEN1KMT2ATYRLMNAALDH1A1
SCHEMBL29419312 0.75 TYR (0.60) MEN1KMT2ATYRLMNAPOLB

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
WO-2017168024-A1 COMPOUNDS WITH ANTIOXIDANT ACTIVITY AND USES THEREOF CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2017-10-05 — — WO disclosed
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