SCHEMBL13812950

SCHEMBL13812950

COc1ccccc1CCOc1cccc(NC(=O)c2cccc(F)c2O)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.58
▸ NPC1 O15118 4/20 0.58
▸ SIRT2 Q8IXJ6 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ KCNK3 O14649 5/20 0.52
▸ KCNK9 Q9NPC2 5/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ TP53 P04637 1/20 0.50
▸ POLB P06746 2/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 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
SCHEMBL13812742 0.92 KCNK3 (0.56) RAB9ANPC1SIRT2KDM4EKCNK3
SCHEMBL13812940 0.89 LRRK2 (0.48) RAB9ANPC1SIRT2KDM4EKCNK3
SCHEMBL13812774 0.89 SIRT2 (0.57) RAB9ANPC1SIRT2KDM4EKCNK3
SCHEMBL13812765 0.89 KCNK3 (0.55) RAB9ANPC1SIRT2KDM4EKCNK3
SCHEMBL13812954 0.87 RAB9A (0.51) RAB9ANPC1SIRT2KDM4ESMN1; SMN2
SCHEMBL13812739 0.87 SMN1; SMN2 (0.52) RAB9ANPC1SIRT2KDM4EKCNK3
SCHEMBL13812747 0.87 SMN1; SMN2 (0.52) RAB9ANPC1SIRT2KDM4EKCNK3
SCHEMBL13812792 0.86 GAA (0.60) RAB9ANPC1KDM4EKCNK3KCNK9
SCHEMBL13812770 0.86 KCNK3 (0.61) RAB9ANPC1SIRT2KDM4EKCNK3
SCHEMBL13812952 0.85 NPC1 (0.48) RAB9ANPC1SIRT2KDM4EKCNK3

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
Send feedback