SCHEMBL13812980

SCHEMBL13812980

Nc1cccc(CCOc2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.66
NPC1 O15118 1/20 0.66
MAOB P27338 5/20 0.63
MAOA P21397 3/20 0.63
CYP19A1 P11511 1/20 0.52
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
TSHR P16473 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
FFAR1 O14842 2/20 0.47
KCNA3 P22001 1/20 0.47
GAA P10253 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 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
SCHEMBL6057426 0.89 MAOB (0.69) RAB9ANPC1MAOBMAOACA12
SCHEMBL22336400 0.87 MAOB (0.61) RAB9ANPC1MAOBMAOACYP19A1
SCHEMBL11510931 0.85 RAB9A (0.65) RAB9ANPC1MAOBMAOACA12
SCHEMBL31114416 0.81 MAOB (0.79) RAB9AMAOBMAOAGAAMAPT
SCHEMBL631673 0.81 MAOB (0.79) RAB9AMAOBMAOAGAAMAPT
SCHEMBL7739637 0.81 MAOB (0.67) RAB9ANPC1MAOBMAOATSHR
SCHEMBL14691662 0.81 MAOB (0.67) RAB9ANPC1MAOBMAOATSHR
SCHEMBL1070131 0.80 NPC1 (0.73) RAB9ANPC1MAOBMAOACA12
SCHEMBL28651037 0.80 GP6 (0.55) RAB9ANPC1FFAR1KCNA3GAA
SCHEMBL11627752 0.80 NPC1 (0.50) RAB9ANPC1MAOBMAOATSHR

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