SCHEMBL13812756

SCHEMBL13812756

O=C(Nc1cccc(OCCc2ccccc2)c1)c1ccc(F)cc1O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 2/20 0.55
▸ SIRT2 Q8IXJ6 4/20 0.53
▸ MAPT P10636 4/20 0.52
▸ LMNA P02545 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ MET P08581 5/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ LRRK2 Q5S007 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HSD17B10 Q99714 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
SCHEMBL13812748 0.91 NR1H4 (0.55) NR1H4SIRT2MAPTLMNASMN1; SMN2
SCHEMBL13812761 0.89 SIRT2 (0.60) NR1H4SIRT2LMNAKDM4EMEN1
SCHEMBL13812782 0.88 NR1H4 (0.54) NR1H4SIRT2LMNAMETMEN1
SCHEMBL13812749 0.87 MET (0.60) NR1H4SIRT2METKDM4EMEN1
SCHEMBL13812545 0.87 MEN1 (0.55) NR1H4SIRT2MAPTLMNASMN1; SMN2
SCHEMBL13812548 0.85 NR1H4 (0.52) NR1H4SIRT2MAPTLMNASMN1; SMN2
SCHEMBL13812739 0.84 SMN1; SMN2 (0.52) SIRT2MAPTLMNASMN1; SMN2MET
SCHEMBL13812797 0.83 NR1H4 (0.50) NR1H4SIRT2MAPTLMNASMN1; SMN2
SCHEMBL13812778 0.81 NR1H4 (0.54) NR1H4SIRT2LMNAMEN1KMT2A
SCHEMBL3863657 0.81 P2RX1 (0.62) NR1H4SIRT2MEN1KMT2A

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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