SCHEMBL6542880

SCHEMBL6542880

O=C1c2ccccc2C(=O)N1CCCOc1ccc2cc(Br)ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.65
MAPT P10636 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.53
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 2/20 0.51
BACE1 P56817 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
PRKDC P78527 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
SCHEMBL7213277 0.89 RAB9A (0.69) RAB9AMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL24658769 0.87 RAB9A (0.77) RAB9AMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL4235445 0.86 RAB9A (0.86) RAB9AMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL30105286 0.83 RAB9A (0.61) RAB9AMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL23742932 0.83 RAB9A (0.61) RAB9AMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL10527876 0.83 RAB9A (0.61) RAB9AMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL2147069 0.83 RAB9A (0.69) RAB9AMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL16056268 0.81 HPGD (0.68) RAB9AMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL5632075 0.80 RAB9A (0.61) RAB9AMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL31000977 0.80 HPGD (0.74) RAB9AMAPTSMN1; SMN2L3MBTL1HPGD

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-6730242-B2 EFFICIENCY THE UNIVERSITY OF ROCHESTER 2004-05-04 US disclosed
US-20030164473-A1 Glass-forming liquid crystalline compositions and optical devices formed therefrom NATIONAL SCIENCE FOUNDATION 2003-09-04 US disclosed