SCHEMBL4973244

SCHEMBL4973244

CCC(N)(CC)CCCCCNc1cc(OC)cc2c(C)ccnc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.62
CASP6 P55212 2/20 0.62
RAD52 P43351 2/20 0.60
CASP7 P55210 1/20 0.60
HSP90AA1 P07900 7/20 0.50
HSP90AB1 P08238 7/20 0.50
HTR1A P08908 4/20 0.46
ADRA1D P25100 4/20 0.46
ADRA1A P35348 4/20 0.46
ADRA1B P35368 4/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HTT P42858 2/20 0.45
TP53 P04637 1/20 0.45
KDM4E B2RXH2 1/20 0.41
TDP2 O95551 1/20 0.41

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
SCHEMBL4726902 0.85 NSD2 (0.70) NSD2CASP6RAD52CASP7HSP90AA1
SCHEMBL8902067 0.85 NSD2 (0.70) NSD2CASP6RAD52CASP7HSP90AA1
SCHEMBL13620693 0.84 NSD2 (0.66) NSD2CASP6RAD52CASP7HSP90AA1
Hydrochloric Acid SCHEMBL11541621 0.84 NSD2 (0.69) NSD2CASP6RAD52CASP7HSP90AA1
SCHEMBL10731810 0.83 NSD2 (0.71) NSD2CASP6RAD52CASP7HSP90AA1
SCHEMBL10731681 0.83 NSD2 (0.71) NSD2CASP6RAD52CASP7HSP90AA1
SCHEMBL14514560 0.82 NSD2 (0.70) NSD2CASP6RAD52CASP7HSP90AA1
SCHEMBL14424700 0.81 NSD2 (0.65) NSD2CASP6RAD52CASP7HSP90AA1
Sitamaquine SCHEMBL1070741 0.81 NSD2 (0.65) NSD2CASP6RAD52CASP7HSP90AA1
Sitamaquine SCHEMBL29811198 0.81 NSD2 (0.65) NSD2CASP6RAD52CASP7HSP90AA1

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-1962862-A2 ALKYL PHOSPHOLIPID DERIVATIVES WITH REDUCED CYTOTOXICITY AND USES THEROF AEterna Zentaris GmbH (DE) 2008-09-03 EP claimed
WO-2007071658-A2 ALKYL PHOSPHOLIPID DERIVATIVES WITH REDUCED CYTOTOXICITY AND USES THEREOF ÆTERNA ZENTARIS GMBH (DE) 2007-06-28 WO claimed
EP-1962862-A2 ALKYL PHOSPHOLIPID DERIVATIVES WITH REDUCED CYTOTOXICITY AND USES THEROF AEterna Zentaris GmbH (DE) 2008-09-03 EP disclosed
WO-2007071658-A2 ALKYL PHOSPHOLIPID DERIVATIVES WITH REDUCED CYTOTOXICITY AND USES THEREOF ÆTERNA ZENTARIS GMBH (DE) 2007-06-28 WO disclosed