SCHEMBL7024935

SCHEMBL7024935

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

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.66
RAD52 P43351 7/20 0.56
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
UHRF1 Q96T88 2/20 0.51
SMARCA2 P51531 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
GPR52 Q9Y2T5 1/20 0.44
BRAF P15056 1/20 0.43
PARP1 P09874 1/20 0.43
POLR1A O95602 1/20 0.43
ECE1 P42892 1/20 0.43
MUS81 Q96NY9 1/20 0.43
HDAC4 P56524 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
SCHEMBL7565761 0.90 AOX1 (0.53) AOX1RAD52KDM4EALDH1A1UHRF1
SCHEMBL7023521 0.86 AOX1 (0.69) AOX1RAD52KDM4EALDH1A1UHRF1
SCHEMBL105276 0.85 AOX1 (0.78) AOX1RAD52KDM4EALDH1A1UHRF1
SCHEMBL29369424 0.85 AOX1 (0.78) AOX1RAD52KDM4EALDH1A1UHRF1
Hydrochloric Acid SCHEMBL29608361 0.84 AOX1 (0.77) AOX1RAD52KDM4EALDH1A1UHRF1
Hydrochloric Acid SCHEMBL4888175 0.84 AOX1 (0.77) AOX1RAD52KDM4EALDH1A1UHRF1
SCHEMBL7032809 0.84 AOX1 (0.69) AOX1RAD52KDM4EALDH1A1UHRF1
SCHEMBL7107762 0.84 AOX1 (0.65) AOX1RAD52KDM4EALDH1A1UHRF1
Hydrochloric Acid SCHEMBL5953779 0.83 AOX1 (0.75) AOX1RAD52KDM4EALDH1A1UHRF1
SCHEMBL7028197 0.83 AOX1 (0.74) AOX1RAD52KDM4EALDH1A1UHRF1

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