SCHEMBL13812940

SCHEMBL13812940

COc1ccccc1CCOc1cccc(NC(=O)c2cc(Br)cc(F)c2O)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ SIRT2 Q8IXJ6 2/20 0.45
▸ KCNK3 O14649 2/20 0.45
▸ KCNK9 Q9NPC2 2/20 0.45
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ MAPK1 P28482 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
SCHEMBL13812950 0.89 RAB9A (0.58) RAB9ANPC1KDM4EPOLBSIRT2
SCHEMBL13812954 0.86 RAB9A (0.51) RAB9ANPC1KDM4EPOLBSIRT2
SCHEMBL13812760 0.86 LRRK2 (0.56) LRRK2RAB9ANPC1KDM4EPOLB
SCHEMBL13812742 0.85 KCNK3 (0.56) RAB9ANPC1KDM4EPOLBSIRT2
SCHEMBL13812747 0.83 SMN1; SMN2 (0.52) RAB9ANPC1KDM4EPOLBSIRT2
SCHEMBL13812739 0.83 SMN1; SMN2 (0.52) RAB9ANPC1KDM4EPOLBSIRT2
SCHEMBL13812774 0.82 SIRT2 (0.57) RAB9ANPC1KDM4EPOLBSIRT2
SCHEMBL13812765 0.82 KCNK3 (0.55) RAB9ANPC1KDM4EPOLBSIRT2
SCHEMBL13812952 0.81 NPC1 (0.48) RAB9ANPC1KDM4EPOLBSIRT2
SCHEMBL13812770 0.80 KCNK3 (0.61) RAB9ANPC1KDM4EPOLBSIRT2

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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