SCHEMBL13812546

SCHEMBL13812546

CC(=O)Nc1cccc(C(=O)Nc2cccc(OCCc3ccccc3)c2)c1O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 11/20 0.59
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ NR1H4 Q96RI1 1/20 0.53
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL13812549 0.86 SIRT2 (0.58) SIRT2NR1H4
SCHEMBL13812777 0.86 SIRT2 (0.59) SIRT2MEN1KMT2ANR1H4
SCHEMBL13812551 0.85 SIRT2 (0.52) SIRT2MEN1KMT2ANR1H4NPC1
SCHEMBL13812545 0.85 MEN1 (0.55) SIRT2MEN1KMT2ANR1H4NPC1
SCHEMBL13812547 0.85 MEN1 (0.55) SIRT2MEN1KMT2ANR1H4NPC1
SCHEMBL13812736 0.85 KCNK3 (0.56) SIRT2MEN1KMT2ANR1H4NPC1
SCHEMBL13812584 0.85 MEN1 (0.53) SIRT2MEN1KMT2ANR1H4NPC1
SCHEMBL13812550 0.85 SIRT2 (0.52) SIRT2MEN1KMT2ANR1H4NPC1
SCHEMBL13812761 0.84 SIRT2 (0.60) SIRT2MEN1KMT2ANR1H4NPC1
SCHEMBL13812767 0.83 KCNK3 (0.54) SIRT2MEN1KMT2ANR1H4RAB9A

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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