SCHEMBL950598

SCHEMBL950598

N#Cc1ccc(OCCOCCOCCN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
RAB9A P51151 9/20 0.58
NPC1 O15118 4/20 0.58
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 2/20 0.54
TDP1 Q9NUW8 2/20 0.49
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 1/20 0.48
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
HRH3 Q9Y5N1 2/20 0.45
TSHR P16473 1/20 0.45
ATM Q13315 2/20 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
SCHEMBL3922051 0.92 HPGD (0.70) HPGDNPSR1RAB9ANPC1MAPT
SCHEMBL6740077 0.87 RAB9A (0.72) HPGDNPSR1RAB9ANPC1MAPT
SCHEMBL8484092 0.86 RAB9A (0.66) HPGDNPSR1RAB9ANPC1MAPT
SCHEMBL8553437 0.86 RAB9A (0.73) HPGDNPSR1RAB9ANPC1MAPT
SCHEMBL8050007 0.86 RAB9A (0.73) HPGDNPSR1RAB9ANPC1MAPT
SCHEMBL8833294 0.83 RAB9A (0.61) HPGDNPSR1RAB9ANPC1MAPT
SCHEMBL4728037 0.81 HPGD (0.59) HPGDNPSR1RAB9ANPC1MAPT
SCHEMBL25042262 0.81 HPGD (0.58) HPGDNPSR1RAB9ANPC1MAPT
SCHEMBL30274227 0.81 HPGD (0.58) HPGDNPSR1RAB9ANPC1MAPT
SCHEMBL25042562 0.81 HPGD (0.58) HPGDNPSR1RAB9ANPC1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011008985-A2 METHODS AND COMPOSITIONS FOR IMPROVED DELIVERY OF THERAPEUTIC AND DIAGNOSTIC AGENTS GEORGIA TECH RESEARCH CORPORATION (US) 2011-01-20 WO disclosed