SCHEMBL6162333

SCHEMBL6162333

CCc1nc(OC)c(C(N)=O)cc1C(=O)NCCC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 9/20 0.55
TOP2B Q02880 8/20 0.55
MAPT P10636 3/20 0.37
TP53 P04637 1/20 0.37
PARP1 P09874 2/20 0.35
PDE4B Q07343 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 2/20 0.35
RAD52 P43351 1/20 0.35

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
SCHEMBL6162258 0.93 TOP2A (0.47) TOP2ATOP2BMAPTTP53PARP1
SCHEMBL6159102 0.92 TOP2A (0.46) TOP2ATOP2BMAPTTP53PARP1
SCHEMBL5398721 0.85 TOP2A (0.47) TOP2ATOP2BMAPTTP53PARP1
SCHEMBL6175432 0.82 TOP2A (0.39) TOP2ATOP2BMAPTTP53KMT2A
SCHEMBL5401693 0.81 TOP2A (0.43) TOP2ATOP2BPARP1
SCHEMBL5404233 0.79 TOP2A (0.46) TOP2ATOP2BPARP1PDE4BPOLB
SCHEMBL5405656 0.79 PARP1 (0.44) TOP2ATOP2BPARP1PDE4BPOLB
SCHEMBL5401753 0.78 TOP2A (0.40) TOP2ATOP2BPARP1KMT2A
SCHEMBL5398724 0.77 TOP2A (0.47) TOP2ATOP2BMAPTTP53KMT2A
SCHEMBL5394368 0.76 TOP2A (0.48) TOP2ATOP2BMAPTPARP1PDE4B

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