SCHEMBL13812545

SCHEMBL13812545

CC(=O)Nc1ccc(C(=O)Nc2cccc(OCCc3ccccc3)c2)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ NR1H4 Q96RI1 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ SIRT2 Q8IXJ6 1/20 0.51
▸ MAPT P10636 1/20 0.50
▸ LMNA P02545 3/20 0.49
▸ AHR P35869 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ KLKB1 P03952 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ MET P08581 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
SCHEMBL13812547 0.92 MEN1 (0.55) MEN1KMT2ANR1H4SMN1; SMN2NPC1
SCHEMBL10132123 0.89 MEN1 (0.69) MEN1KMT2ANR1H4SMN1; SMN2NPC1
SCHEMBL13812782 0.88 NR1H4 (0.54) MEN1KMT2ANR1H4SIRT2LMNA
SCHEMBL13812548 0.88 NR1H4 (0.52) MEN1KMT2ANR1H4SMN1; SMN2NPC1
SCHEMBL13812749 0.87 MET (0.60) MEN1KMT2ANR1H4NPC1RAB9A
SCHEMBL13812756 0.87 NR1H4 (0.55) MEN1KMT2ANR1H4SMN1; SMN2SIRT2
SCHEMBL13812761 0.87 SIRT2 (0.60) MEN1KMT2ANR1H4NPC1RAB9A
SCHEMBL13812546 0.85 SIRT2 (0.59) MEN1KMT2ANR1H4SMN1; SMN2NPC1
SCHEMBL13812550 0.82 SIRT2 (0.52) MEN1KMT2ANR1H4SMN1; SMN2NPC1
SCHEMBL13812778 0.82 NR1H4 (0.54) MEN1KMT2ANR1H4RAB9ASIRT2

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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