SCHEMBL14080193

SCHEMBL14080193

[N-]=[N+]=NCCCCc1ccc(N2CCOCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ SLC13A5 Q86YT5 1/20 0.41
▸ L3MBTL3 Q96JM7 1/20 0.39
▸ MAPT P10636 5/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ SIGMAR1 Q99720 4/20 0.39
▸ POLB P06746 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL14270281 0.81 RAB9A (0.47) RAB9ANPC1GAAL3MBTL1SLC13A5
SCHEMBL16674489 0.79 ADRB2 (0.49) ALDH1A1LMNAKDM4EALOX15TP53
SCHEMBL28287211 0.76 SIGMAR1 (0.60) RAB9ANPC1SLC13A5MAPTALDH1A1
SCHEMBL4969194 0.76 SLC13A5 (0.46) RAB9ANPC1GAAL3MBTL1SLC13A5
SCHEMBL1532698 0.76 SLC13A5 (0.49) RAB9ANPC1GAAL3MBTL1SLC13A5
SCHEMBL19245042 0.75 S1PR1 (0.59) RAB9ANPC1GAAL3MBTL1MAPT
SCHEMBL22558673 0.74 SLC13A5 (0.50) RAB9ANPC1GAAL3MBTL1SLC13A5
SCHEMBL3399680 0.74 LMNA (0.52) RAB9ANPC1GAAL3MBTL1SLC13A5
SCHEMBL21084402 0.73 ADRB2 (0.48) ALOX15ADRB2HTR2A
SCHEMBL29272968 0.73 SLC13A5 (0.46) RAB9ANPC1GAAL3MBTL1SLC13A5

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-2008106204-A1 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X-PHARMACEUTICALS, INC. (US) 2008-09-04 — — WO disclosed
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