SCHEMBL9299772

SCHEMBL9299772

CC(=O)CC(C)C(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 10/20 0.62
TOP2B Q02880 9/20 0.62
POLB P06746 2/20 0.48
RAD52 P43351 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.48
KDM1A O60341 1/20 0.48
MITF O75030 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 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
SCHEMBL9300424 0.88 TOP2A (0.60) TOP2ATOP2BPOLBRAD52L3MBTL1
SCHEMBL3989825 0.86 TOP2A (0.66) TOP2ATOP2BPOLBRAD52L3MBTL1
SCHEMBL5404447 0.86 TOP2A (0.66) TOP2ATOP2BPOLBRAD52L3MBTL1
SCHEMBL9300052 0.84 TOP2A (0.73) TOP2ATOP2BPOLBRAD52L3MBTL1
SCHEMBL3984667 0.84 TOP2A (0.64) TOP2ATOP2BPOLBRAD52L3MBTL1
SCHEMBL8104150 0.84 TOP2A (0.60) TOP2ATOP2BPOLBRAD52L3MBTL1
SCHEMBL9302060 0.84 TOP2A (0.76) TOP2ATOP2BPOLBRAD52L3MBTL1
SCHEMBL4257864 0.82 TOP2A (0.61) TOP2ATOP2BPOLBRAD52L3MBTL1
SCHEMBL3984348 0.82 TOP2A (0.64) TOP2ATOP2BPOLBRAD52L3MBTL1
SCHEMBL9300026 0.82 TOP2B (0.46) TOP2ATOP2BPOLBRAD52L3MBTL1

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
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
WO-1993023049-A1 3-(9-ACRIDINYLAMINO)-5-HYDROXYMETHYLANILINE DERIVATIVES AS ANTICANCER AGENTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1993-11-25 WO disclosed