SCHEMBL9207410

SCHEMBL9207410

CCN(CC)CCNc1nnc(NCCN(CC)CC)c2cc3ccccc3cc12

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.50
FLT3 P36888 8/20 0.49
SOD1 P00441 1/20 0.49
RCE1 Q9Y256 1/20 0.48
TOP2A P11388 1/20 0.46
CHEK1 O14757 1/20 0.46
PIM1 P11309 1/20 0.46
IDO1 P14902 1/20 0.46
LTK P29376 1/20 0.46
LIMK1 P53667 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
CACNA2D1 P54289 1/20 0.43

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
SCHEMBL9204316 0.84 TOP2A (0.52) KAT2BFLT3SOD1TOP2APOLB
SCHEMBL8421485 0.82 SOD1 (0.51) FLT3SOD1
SCHEMBL8421424 0.79 SOD1 (0.56) SOD1TOP2APOLB
SCHEMBL8421956 0.78 FLT3 (0.57) FLT3SOD1TOP2APOLB
SCHEMBL8423745 0.78 SOD1 (0.47) SOD1
Hydrochloric Acid SCHEMBL8421903 0.78 SOD1 (0.55) SOD1TOP2APOLB
SCHEMBL9202631 0.76 TOP2A (0.45) KAT2BFLT3SOD1TOP2AGAA
SCHEMBL15165345 0.74 FLT3 (0.89) FLT3
SCHEMBL9203591 0.73 KAT2B (0.51) KAT2BRCE1POLBGAA
SCHEMBL9208673 0.72 SOD1 (0.56) SOD1RCE1POLBGAA

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