SCHEMBL9209263

SCHEMBL9209263

c1ccc(COCCOCCNc2nnc(NCCOCCOCc3ccccc3)c3cc4ccccc4cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.47
SOD1 P00441 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
NAAA Q02083 1/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
FOXM1 Q08050 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL26189828 0.71 TSHR (0.74) SMN1; SMN2LMNANAAAHTTTSHR
SCHEMBL27710140 0.71 TSHR (0.74) SMN1; SMN2LMNANAAAHTTTSHR
SCHEMBL3701483 0.71 TSHR (0.74) SMN1; SMN2LMNANAAAHTTTSHR
SCHEMBL4608747 0.71 TSHR (0.74) SMN1; SMN2LMNANAAAHTTTSHR
SCHEMBL9505432 0.71 TSHR (0.74) SMN1; SMN2LMNANAAAHTTTSHR
SCHEMBL10895400 0.71 TSHR (0.74) SMN1; SMN2LMNANAAAHTTTSHR
SCHEMBL8421485 0.71 SOD1 (0.51) SOD1RAB9ANPC1HTTBCHE
SCHEMBL414823 0.70 TSHR (0.54) GBA1SMN1; SMN2LMNANAAAHTT
SCHEMBL11258904 0.69 EGFR (0.68) GBA1SMN1; SMN2LMNARAB9AHTT
SCHEMBL21184503 0.69 KDM4E (0.50) SMN1; SMN2RAB9ANPC1NAAAHTT

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
EP-0497809-B1 1,4-BIS(ALKYLAMINO)-2,3-DIAZA-ANTHRACENE-9,10-DIONES BOEHRINGER MANNHEIM ITALIA (IT) 1995-06-28 EP disclosed
US-5162320-A 1,4-BIS(ALKYLAMINO)-2,3-DIAZA-ANTHRACENE-9,10-DIONES BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1992-11-10 US disclosed
EP-0497809-A1 1,4-BIS(ALKYLAMINO)-2,3-DIAZA-ANTHRACENE-9,10-DIONES. BOEHRINGER MANNHEIM ITALIA (IT) 1992-08-12 EP disclosed
WO-1991006540-A1 1,4-BIS(ALKYLAMINO)-2,3-DIAZA-ANTHRACENE-9,10-DIONES BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1991-05-16 WO disclosed