SCHEMBL9200470

SCHEMBL9200470

Nc1nnc(NCCCO)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
CDC25A P30304 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
BLM P54132 2/20 0.42
KMT2A Q03164 2/20 0.42
EGFR P00533 1/20 0.42
MAPK1 P28482 1/20 0.42
RAD52 P43351 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TOP2B Q02880 1/20 0.42
NQO1 P15559 2/20 0.40
NSD2 O96028 2/20 0.40
FGB P02675 1/20 0.40

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
Hydrochloric Acid SCHEMBL9205563 0.99 HTT (0.47) HTTLMNAMAPTCDC25ASMN1; SMN2
SCHEMBL9207090 0.92 HTT (0.55) HTTLMNAMAPTCDC25ASMN1; SMN2
Hydrochloric Acid SCHEMBL9205298 0.90 HTT (0.54) HTTLMNAMAPTCDC25ASMN1; SMN2
SCHEMBL9208748 0.87 TOP2B (0.59) HTTLMNAMAPTCDC25ASMN1; SMN2
Hydrochloric Acid SCHEMBL9198168 0.86 TOP2B (0.58) HTTLMNAMAPTCDC25ASMN1; SMN2
SCHEMBL9202338 0.86 SMN1; SMN2 (0.51) HTTLMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL9206570 0.80 TOP1 (0.53) HTTSMN1; SMN2MEN1KMT2ABRCA1
Hydrochloric Acid SCHEMBL9202443 0.79 TOP1 (0.52) HTTSMN1; SMN2BRCA1HIF1AILK
SCHEMBL9206872 0.78 KAT2B (0.45) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL7207025 0.77 TOP2B (0.68) HTTLMNAMAPTCDC25ASMN1; SMN2

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