SCHEMBL19427485

SCHEMBL19427485

O=C(Cc1ccc(O)cc1O)Nc1ccc(O)cc1O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ TYR P14679 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ CXCR1 P25024 1/20 0.46
▸ CAMK2A Q9UQM7 2/20 0.43
▸ MAPT P10636 2/20 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
SCHEMBL19427441 0.90 MEN1 (0.51) KMT2AMEN1TYRKDM4EALDH1A1
SCHEMBL19427719 0.88 EGFR (0.50) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL19427447 0.83 CYP1A1 (0.54) KMT2AMEN1TYRKDM4EMAPT
SCHEMBL13957114 0.79 TDP1 (0.71) KDM4EALDH1A1HSD17B10TDP1CXCR1
SCHEMBL2748272 0.79 ALDH1A1 (0.53) KMT2AMEN1KDM4EALDH1A1TDP1
SCHEMBL8361645 0.78 NLRP3 (0.61) KMT2AMEN1MAPT
SCHEMBL4653992 0.76 TYR (0.56) KMT2AMEN1TYRALDH1A1
SCHEMBL29419312 0.75 TYR (0.60) KMT2AMEN1TYRALDH1A1CAMK2A
SCHEMBL28718751 0.75 TYR (0.60) KMT2AMEN1TYR
SCHEMBL156238 0.75 TYR (0.60) KMT2AMEN1TYRALDH1A1CAMK2A

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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