SCHEMBL9301426

SCHEMBL9301426

CCC(CC(C)=O)C(=O)Nc1cc(COC(=O)C(CC)CC(C)=O)cc(Nc2c3ccccc3nc3ccccc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 9/20 0.55
TOP2B Q02880 9/20 0.55
POLB P06746 4/20 0.44
KDM4E B2RXH2 3/20 0.44
RAD52 P43351 3/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM1A O60341 1/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GLA P06280 1/20 0.42
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL9300424 0.89 TOP2A (0.60) TOP2ATOP2BPOLBKDM4ERAD52
SCHEMBL9300970 0.88 TOP2A (0.67) TOP2ATOP2BPOLBKDM4ERAD52
SCHEMBL9300054 0.78 TOP2A (0.74) TOP2ATOP2BPOLBKDM4ERAD52
SCHEMBL9299772 0.77 TOP2A (0.62) TOP2ATOP2BPOLBKDM4ERAD52
SCHEMBL9300059 0.77 TOP2A (0.61) TOP2ATOP2BPOLBKDM4ERAD52
SCHEMBL9300149 0.77 TOP2A (0.64) TOP2ATOP2BPOLBKDM4ERAD52
SCHEMBL9300175 0.76 TOP2A (0.60) TOP2ATOP2BPOLBKDM4ERAD52
SCHEMBL9300004 0.76 TOP2A (0.70) TOP2ATOP2BPOLBKDM4ERAD52
SCHEMBL9300031 0.75 TOP2A (0.61) TOP2ATOP2BPOLBKDM4ERAD52
SCHEMBL9301432 0.75 TOP2A (0.61) TOP2ATOP2BPOLBKDM4ERAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5354864-A Antitumor agents SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1994-10-11 US claimed
US-5354864-A Antitumor agents SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1994-10-11 US disclosed