SCHEMBL9206872

SCHEMBL9206872

CCN(CC)CCNc1nnc(N)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.45
MAPT P10636 3/20 0.43
APAF1 O14727 1/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
NSD2 O96028 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
CASP6 P55212 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TERT O14746 2/20 0.41
TOP1 P11387 1/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
DNMT1 P26358 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
SCHEMBL9203591 0.92 KAT2B (0.51) KAT2BMAPTAPAF1NPC1MITF
SCHEMBL9206570 0.87 TOP1 (0.53) KAT2BKMT2ATOP1ADORA2AADORA1
Hydrochloric Acid SCHEMBL9202443 0.86 TOP1 (0.52) KAT2BTOP1ADORA2AADORA1GAA
SCHEMBL9202338 0.82 SMN1; SMN2 (0.51) MAPTAPAF1NPC1MITFNSD2
SCHEMBL9209216 0.78 TOP1 (0.59) KAT2BMAPTKMT2AMAPK1TERT
SCHEMBL9200470 0.78 HTT (0.48) MAPTNSD2KMT2AMAPK1NPSR1
Hydrochloric Acid SCHEMBL9208228 0.77 TOP1 (0.58) KAT2BMAPTKMT2AMAPK1TERT
Hydrochloric Acid SCHEMBL9205563 0.77 HTT (0.47) MAPTNSD2KMT2AMAPK1NPSR1
SCHEMBL9208748 0.76 TOP2B (0.59) MAPTAPAF1NPC1NSD2RAB9A
SCHEMBL9676864 0.76 KMT2A (0.39) MAPTAPAF1NPC1MITFNSD2

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