SCHEMBL9302060

SCHEMBL9302060

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 10/20 0.76
TOP2B Q02880 9/20 0.76
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
KDM1A O60341 1/20 0.53
MITF O75030 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
RAD52 P43351 1/20 0.53
RECQL P46063 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC8 Q9BY41 2/20 0.49

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
SCHEMBL9300065 0.91 TOP2A (0.83) TOP2ATOP2BL3MBTL1MAPTKDM4E
SCHEMBL3983034 0.89 TOP2A (0.77) TOP2ATOP2BL3MBTL1MAPTKDM4E
SCHEMBL9300052 0.89 TOP2A (0.73) TOP2ATOP2BL3MBTL1MAPTKDM4E
SCHEMBL9299786 0.89 TOP2A (0.78) TOP2ATOP2BL3MBTL1MAPTKDM4E
SCHEMBL9300434 0.89 TOP2A (0.78) TOP2ATOP2BL3MBTL1MAPTKDM4E
SCHEMBL9300175 0.87 TOP2A (0.60) TOP2ATOP2BL3MBTL1MAPTKDM4E
SCHEMBL3984609 0.85 TOP2A (0.74) TOP2ATOP2BL3MBTL1MAPTKDM4E
SCHEMBL9299772 0.84 TOP2A (0.62) TOP2ATOP2BL3MBTL1MAPTKDM4E
SCHEMBL7239792 0.82 TOP2A (0.66) TOP2ATOP2BL3MBTL1MAPTKDM4E
SCHEMBL9300424 0.82 TOP2A (0.60) TOP2ATOP2BL3MBTL1MAPTKDM4E

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