SCHEMBL13812552

SCHEMBL13812552

O=CNc1cc(Cl)ccc1C(=O)Nc1cccc(OCCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 7/20 0.52
▸ MAPT P10636 2/20 0.51
▸ NR1H4 Q96RI1 3/20 0.50
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MET P08581 1/20 0.47
▸ TP53 P04637 2/20 0.45
▸ GRIK1 P39086 1/20 0.44
▸ LRRK2 Q5S007 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ P2RX1 P51575 1/20 0.42

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
SCHEMBL13812675 0.89 NR1H4 (0.48) SIRT2MAPTNR1H4MEN1NPC1
SCHEMBL13812550 0.87 SIRT2 (0.52) SIRT2MAPTNR1H4MEN1NPC1
SCHEMBL13812553 0.85 SIRT2 (0.51) SIRT2MAPTNR1H4NPC1RAB9A
SCHEMBL13812549 0.85 SIRT2 (0.58) SIRT2NR1H4RXFP1
SCHEMBL3863657 0.83 P2RX1 (0.62) SIRT2NR1H4MEN1NPC1RAB9A
SCHEMBL13812548 0.82 NR1H4 (0.52) SIRT2MAPTNR1H4MEN1NPC1
SCHEMBL13812584 0.81 MEN1 (0.53) SIRT2MAPTNR1H4MEN1NPC1
SCHEMBL13812764 0.80 LRRK2 (0.55) SIRT2MAPTNR1H4MEN1KMT2A
SCHEMBL13812799 0.78 NR1H4 (0.50) SIRT2MAPTNR1H4MEN1NPC1
SCHEMBL13812642 0.78 P2RX1 (0.61) SIRT2MAPTNR1H4MEN1NPC1

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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