SCHEMBL9300931

SCHEMBL9300931

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 9/20 0.67
TOP2B Q02880 8/20 0.67
HDAC4 P56524 4/20 0.44
HDAC7 Q8WUI4 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC9 Q9UKV0 4/20 0.44
HDAC5 Q9UQL6 4/20 0.44
HDAC3 O15379 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
KDM1A O60341 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 2/20 0.40
RAD52 P43351 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GFER P55789 1/20 0.40
ATM Q13315 1/20 0.40
APP P05067 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
SCHEMBL9300927 1.00 TOP2A (0.67) TOP2ATOP2BHDAC4HDAC7HDAC6
SCHEMBL9301899 0.82 TOP2A (0.67) TOP2ATOP2BHDAC4HDAC7HDAC6
SCHEMBL8490361 0.82 TOP2A (0.80) TOP2ATOP2BHDAC4HDAC7HDAC6
SCHEMBL9299946 0.82 TOP2A (0.72) TOP2ATOP2BHDAC4HDAC7HDAC6
SCHEMBL8489520 0.80 TOP2A (1.00) TOP2ATOP2BHDAC4HDAC7HDAC6
SCHEMBL3981533 0.80 TOP2A (0.80) TOP2ATOP2BHDAC4HDAC7HDAC6
SCHEMBL9300004 0.80 TOP2A (0.70) TOP2ATOP2BHDAC4HDAC7HDAC6
SCHEMBL9300980 0.80 TOP2A (0.70) TOP2ATOP2BHDAC4HDAC7HDAC6
SCHEMBL9300015 0.80 TOP2A (0.70) TOP2ATOP2BHDAC4HDAC7HDAC6
SCHEMBL9301113 0.80 TOP2A (0.69) TOP2ATOP2BHDAC4HDAC7HDAC6

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
WO-1993023049-A1 3-(9-ACRIDINYLAMINO)-5-HYDROXYMETHYLANILINE DERIVATIVES AS ANTICANCER AGENTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1993-11-25 WO claimed
US-5354864-A Antitumor agents SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1994-10-11 US disclosed