SCHEMBL6159102

SCHEMBL6159102

CCc1nc(OC)c(C(N)=O)cc1C(=O)NCCC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3c(C)c(C)ccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.46
TOP2B Q02880 6/20 0.46
CTSD P07339 2/20 0.38
KDM1A O60341 1/20 0.36
PARP1 P09874 4/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36
MAPT P10636 4/20 0.35
TP53 P04637 2/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6162333 0.92 TOP2A (0.55) TOP2ATOP2BPARP1MAPTTP53
SCHEMBL6162258 0.91 TOP2A (0.47) TOP2ATOP2BKDM1APARP1MAPT
SCHEMBL5401753 0.87 TOP2A (0.40) TOP2ATOP2BCTSDKDM1APARP1
SCHEMBL5401757 0.80 TOP2A (0.40) TOP2ATOP2BCTSDKDM1APARP1
SCHEMBL5398721 0.78 TOP2A (0.47) TOP2ATOP2BKDM1APARP1MAPT
SCHEMBL5405656 0.78 PARP1 (0.44) TOP2ATOP2BKDM1APARP1CYP3A4
SCHEMBL5401693 0.76 TOP2A (0.43) TOP2ATOP2BPARP1
SCHEMBL6175432 0.75 TOP2A (0.39) TOP2ATOP2BMAPTTP53MEN1
SCHEMBL5404233 0.73 TOP2A (0.46) TOP2ATOP2BPARP1
SCHEMBL5450024 0.72 TOP2A (0.53) TOP2ATOP2BCTSDKDM1APARP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487799-A4 9-AMINOACRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2005-06-01 EP disclosed
EP-1487799-A1 9-AMINOACRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2004-12-22 EP disclosed
WO-2003074490-A1 9-AMINOACRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2003-09-12 WO disclosed