SCHEMBL9208673

SCHEMBL9208673

OCCCNc1nnc(NCCCO)c2cc3ccccc3cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.56
RAD52 P43351 3/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 5/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.44
PDE5A O76074 1/20 0.44
KCNH3 Q9ULD8 1/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RCE1 Q9Y256 1/20 0.44
HTT P42858 1/20 0.43
MERTK Q12866 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
SCHEMBL9201354 0.83 SOD1 (0.47) SOD1RAD52POLBKDM4EMAPT
SCHEMBL8421424 0.83 SOD1 (0.56) SOD1POLBKDM4EALDH1A1LMNA
SCHEMBL8421956 0.82 FLT3 (0.57) SOD1RAD52POLBALDH1A1KMT2A
Hydrochloric Acid SCHEMBL8421903 0.81 SOD1 (0.55) SOD1POLBKDM4EALDH1A1LMNA
SCHEMBL7691871 0.81 KDM4E (0.59) RAD52POLBKDM4EMAPTALDH1A1
SCHEMBL9207716 0.80 RAD52 (0.44) RAD52POLBKDM4EMAPTALDH1A1
SCHEMBL8421485 0.79 SOD1 (0.51) SOD1KDM4EALDH1A1KMT2AMEN1
SCHEMBL9204316 0.75 TOP2A (0.52) SOD1RAD52POLBGAAKMT2A
SCHEMBL9209352 0.74 CA12 (0.56) KDM4EMAPTALDH1A1TSHRHSD17B10
SCHEMBL8423745 0.74 SOD1 (0.47) SOD1KDM4EKMT2AMEN1

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