SCHEMBL9208466

SCHEMBL9208466

c1ccc2cc3c(NCCN4CCOCC4)nnc(NCCN4CCOCC4)c3cc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.62
KMT2A Q03164 3/20 0.62
SMARCA2 P51531 2/20 0.62
MEN1 O00255 2/20 0.62
MITF O75030 1/20 0.62
POLB P06746 1/20 0.62
HPGD P15428 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
CYP3A4 P08684 3/20 0.59
ACHE P22303 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2D6 P10635 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
CHRM1 P11229 1/20 0.59
CNR1 P21554 1/20 0.59
HTR2B P41595 1/20 0.59
KCNH2 Q12809 1/20 0.59
TOP2A P11388 1/20 0.58
KDM4E B2RXH2 2/20 0.54
HSD17B10 Q99714 2/20 0.53

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
SCHEMBL9198215 0.90 SOD1 (0.53) LMNAKMT2ASMARCA2MEN1MITF
SCHEMBL9210266 0.86 ACHE (0.57) KMT2ASMARCA2MEN1POLBACHE
SCHEMBL9206825 0.84 KAT2B (0.55) LMNAKMT2ASMARCA2MEN1MITF
SCHEMBL9206353 0.82 LMNA (0.46) LMNAKMT2ASMARCA2MEN1MITF
SCHEMBL28961846 0.81 TOP2A (0.56) LMNAKMT2AMEN1POLBHPGD
SCHEMBL29291218 0.77 CYP1A2 (0.59) LMNAKMT2ASMARCA2MEN1MITF
SCHEMBL1752978 0.76 LMNA (0.80) LMNACYP3A4ACHECYP1A2CYP2D6
SCHEMBL9203425 0.76 MALT1 (0.63) LMNAKMT2AMEN1POLBCYP3A4
SCHEMBL9870727 0.75 LMNA (0.53) LMNAKMT2ASMARCA2CYP3A4ACHE
SCHEMBL1752928 0.75 ACHE (0.63) LMNACYP3A4ACHECYP1A2CYP2D6

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