SCHEMBL13812759

SCHEMBL13812759

O=C(Nc1cccc(OCCc2ccccc2)c1)c1cc(Br)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 6/20 0.58
▸ NR1H4 Q96RI1 2/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ SIRT2 Q8IXJ6 4/20 0.53
▸ P2RX1 P51575 1/20 0.51
▸ MET P08581 1/20 0.48
▸ FADS1 O60427 1/20 0.47
▸ THRA P10827 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ PTGES O14684 1/20 0.47
▸ HDAC3 O15379 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL13812748 0.88 NR1H4 (0.55) LRRK2NR1H4SIRT2P2RX1MET
SCHEMBL13812761 0.88 SIRT2 (0.60) NR1H4ALOX15SIRT2P2RX1FADS1
SCHEMBL3863657 0.87 P2RX1 (0.62) NR1H4SIRT2P2RX1FADS1
SCHEMBL13812778 0.87 NR1H4 (0.54) LRRK2NR1H4SIRT2FADS1THRB
SCHEMBL13812751 0.86 FADS1 (0.60) LRRK2NR1H4SIRT2METFADS1
SCHEMBL13812547 0.86 MEN1 (0.55) NR1H4SIRT2FADS1
SCHEMBL13812760 0.85 LRRK2 (0.56) LRRK2ALOX15SIRT2P2RX1FADS1
SCHEMBL13812642 0.82 P2RX1 (0.61) NR1H4SIRT2P2RX1METFADS1
SCHEMBL13812756 0.81 NR1H4 (0.55) LRRK2NR1H4SIRT2MET
SCHEMBL13812782 0.80 NR1H4 (0.54) LRRK2NR1H4ALOX15SIRT2MET

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
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
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