SCHEMBL6542913

SCHEMBL6542913

N#Cc1ccc(-c2ccc3cc(OCCCN4C(=O)c5ccccc5C4=O)ccc3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MMP2 P08253 2/20 0.48
MMP3 P08254 1/20 0.48
HRH3 Q9Y5N1 7/20 0.48
HRH2 P25021 6/20 0.48
HRH1 P35367 6/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MMP9 P14780 1/20 0.45
BACE1 P56817 1/20 0.45
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL8833294 0.88 RAB9A (0.61) RAB9AMAPTSMN1; SMN2MMP2MMP3
SCHEMBL6740077 0.88 RAB9A (0.72) RAB9AMAPTSMN1; SMN2MMP2MMP3
SCHEMBL8484092 0.84 RAB9A (0.66) RAB9AMAPTSMN1; SMN2MMP2MMP3
SCHEMBL3922051 0.81 HPGD (0.70) RAB9AMAPTSMN1; SMN2MMP2MMP3
SCHEMBL7213277 0.81 RAB9A (0.69) RAB9AMAPTSMN1; SMN2HRH3HPGD
SCHEMBL10674350 0.80 RAB9A (0.82) RAB9AMAPTSMN1; SMN2MMP2MMP3
SCHEMBL10075064 0.78 RAB9A (0.49) RAB9AMAPTSMN1; SMN2MMP2MMP3
SCHEMBL950598 0.77 HPGD (0.59) RAB9AMAPTSMN1; SMN2MMP2MMP3
SCHEMBL6542880 0.77 RAB9A (0.65) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL11920128 0.77 RAB9A (0.63) RAB9AMAPTSMN1; SMN2HRH1HPGD

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 4 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
US-6558572-B2 Optical device UNIVERSITY OF ROCHESTER 2003-05-06 US disclosed
US-20010036517-A1 Glass-forming liquid crystalline compositions and optical devices formed therefrom NATIONAL SCIENCE FOUNDATION 2001-11-01 US disclosed