SCHEMBL7032809

SCHEMBL7032809

CN(C)CCNC(=O)c1cccc2cc3ccc(Br)cc3nc12

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.69
RAD52 P43351 7/20 0.59
CYP1A2 P05177 2/20 0.54
SMARCA2 P51531 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
UHRF1 Q96T88 2/20 0.53
ALDH1A1 P00352 3/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.45
POLR1A O95602 3/20 0.45
ECE1 P42892 1/20 0.45
MUS81 Q96NY9 1/20 0.45
KCNH2 Q12809 1/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PARP1 P09874 1/20 0.42

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
SCHEMBL7027447 0.92 AOX1 (0.78) AOX1RAD52CYP1A2SMARCA2HDAC1
SCHEMBL7564035 0.89 HDAC1 (0.57) AOX1RAD52CYP1A2SMARCA2HDAC1
SCHEMBL29369424 0.88 AOX1 (0.78) AOX1RAD52SMARCA2HDAC1HDAC6
SCHEMBL105276 0.88 AOX1 (0.78) AOX1RAD52SMARCA2HDAC1HDAC6
Hydrochloric Acid SCHEMBL4888175 0.87 AOX1 (0.77) AOX1RAD52SMARCA2HDAC1HDAC6
Hydrochloric Acid SCHEMBL29608361 0.87 AOX1 (0.77) AOX1RAD52SMARCA2HDAC1HDAC6
SCHEMBL7023521 0.87 AOX1 (0.69) AOX1RAD52CYP1A2SMARCA2HDAC1
Hydrochloric Acid SCHEMBL5953779 0.86 AOX1 (0.75) AOX1RAD52SMARCA2HDAC1HDAC6
SCHEMBL7024935 0.84 AOX1 (0.66) AOX1RAD52SMARCA2HDAC1HDAC6
SCHEMBL8711841 0.83 AOX1 (0.71) AOX1RAD52SMARCA2HDAC1HDAC6

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-0934277-B1 PROCESS FOR THE PREPARATION OF N- 2-(DIMETHYLAMINO)ETHYL]ACRIDINE-4-CARBOXAMIDE XENOVA LTD (GB) 2003-02-05 EP disclosed
US-6111109-A CYCLIZING A 2-(2-ALKYLOXYCARBONYLPHENYL)AMINO-)BENZALDEHYDE BY TREATING WITH A BORON TRIFLUORIDE; NEUTRALIZATION OF THE FORMED SALT; AMIDATION WITH AN 2-N,N-DIALKYLAMINOETHYLAMINE;ANTITUMOR AND -CARCINOGENIC XENOVA LIMITED (GB) 2000-08-29 US disclosed
EP-0934277-A1 PROCESS FOR THE PREPARATION OF N- 2-(DIMETHYLAMINO)ETHYL]ACRIDINE-4-CARBOXAMIDE XENOVA LIMITED (GB) 1999-08-11 EP disclosed
WO-1998017649-A1 PROCESS FOR THE PREPARATION OF N-[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-4-CARBOXAMIDE XENOVA LIMITED (GB) 1998-04-30 WO disclosed