SCHEMBL13812760

SCHEMBL13812760

COc1ccccc1CCOc1cccc(NC(=O)c2cc(Br)ccc2O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.56
▸ STAT3 P40763 1/20 0.51
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ MAPT P10636 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MCL1 Q07820 1/20 0.48
▸ KCNK3 O14649 2/20 0.47
▸ KCNK9 Q9NPC2 2/20 0.47
▸ P2RX1 P51575 1/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ FADS1 O60427 2/20 0.46

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
SCHEMBL13812750 0.90 FADS1 (0.58) LRRK2NPC1RAB9AMAPTPOLB
SCHEMBL13812776 0.89 KCNK3 (0.51) STAT3NPC1RAB9APOLBKMT2A
SCHEMBL13812747 0.89 SMN1; SMN2 (0.52) NPC1RAB9AMAPTPOLBKDM4E
SCHEMBL13812765 0.89 KCNK3 (0.55) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL13812803 0.87 TRPV1 (0.50) LRRK2NPC1RAB9AMAPTPOLB
SCHEMBL13812938 0.87 GAA (0.47) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL13812809 0.87 POLB (0.51) LRRK2NPC1RAB9AMAPTPOLB
SCHEMBL13812936 0.87 FADS1 (0.49) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL13812940 0.86 LRRK2 (0.48) LRRK2STAT3NPC1RAB9APOLB
SCHEMBL13812934 0.86 KCNK3 (0.47) NPC1RAB9APOLBMEN1KMT2A

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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