SCHEMBL7107762

SCHEMBL7107762

CN(C)CCNC(=O)c1cccc2cc3cccc(C(F)(F)F)c3nc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.65
RAD52 P43351 7/20 0.57
SMARCA2 P51531 1/20 0.53
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
UHRF1 Q96T88 2/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.46
PARP1 P09874 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TERT O14746 1/20 0.44
HTT P42858 1/20 0.44
POLR1A O95602 1/20 0.44
ECE1 P42892 1/20 0.44
MUS81 Q96NY9 1/20 0.44
HTR2C P28335 1/20 0.44

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
SCHEMBL7566458 0.89 AOX1 (0.52) AOX1RAD52SMARCA2HDAC1HDAC6
SCHEMBL7025712 0.86 RAD52 (0.73) AOX1RAD52SMARCA2KDM4EALDH1A1
SCHEMBL7567397 0.84 HDAC1 (0.47) AOX1RAD52KMT2APARP1HDAC1
SCHEMBL7024935 0.84 AOX1 (0.66) AOX1RAD52SMARCA2KDM4EALDH1A1
SCHEMBL29369424 0.83 AOX1 (0.78) AOX1RAD52SMARCA2KDM4EALDH1A1
SCHEMBL105276 0.83 AOX1 (0.78) AOX1RAD52SMARCA2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4888175 0.82 AOX1 (0.77) AOX1RAD52SMARCA2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL29608361 0.82 AOX1 (0.77) AOX1RAD52SMARCA2KDM4EALDH1A1
SCHEMBL7033962 0.81 AOX1 (0.69) AOX1RAD52SMARCA2KDM4EALDH1A1
SCHEMBL17687389 0.81 GAA (0.55) RAD52KDM4EALDH1A1SMN1; SMN2POLB

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