SCHEMBL9301385

SCHEMBL9301385

O=C(O)CNc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 10/20 0.69
TOP2B Q02880 9/20 0.69
ATM Q13315 1/20 0.51
HDAC4 P56524 4/20 0.49
HDAC7 Q8WUI4 4/20 0.49
HDAC6 Q9UBN7 4/20 0.49
HDAC9 Q9UKV0 4/20 0.49
HDAC5 Q9UQL6 4/20 0.49
HDAC3 O15379 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 2/20 0.49
RAD52 P43351 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
GFER P55789 1/20 0.49
KDM1A O60341 2/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL7239785 0.90 TOP2A (0.66) TOP2ATOP2BATMHDAC4HDAC7
SCHEMBL9300625 0.89 TOP2A (0.62) TOP2ATOP2BATMHDAC4HDAC7
SCHEMBL9299690 0.88 TOP2A (0.73) TOP2ATOP2BATMHDAC4HDAC7
SCHEMBL9302109 0.86 TOP2A (0.53) TOP2ATOP2BATMHDAC4HDAC7
SCHEMBL9301580 0.86 TOP2A (0.71) TOP2ATOP2BATMHDAC4HDAC7
SCHEMBL9299913 0.85 TOP2A (0.60) TOP2ATOP2BHDAC4HDAC7HDAC6
SCHEMBL9300052 0.82 TOP2A (0.73) TOP2ATOP2BATMHDAC4HDAC7
SCHEMBL9300658 0.81 TOP2A (0.64) TOP2ATOP2BHDAC4HDAC7HDAC6
SCHEMBL3984609 0.81 TOP2A (0.74) TOP2ATOP2BATMHDAC4HDAC7
SCHEMBL9300917 0.81 TOP2A (0.67) TOP2ATOP2BATMHDAC4HDAC7

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 4 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
WO-1993023049-A1 3-(9-ACRIDINYLAMINO)-5-HYDROXYMETHYLANILINE DERIVATIVES AS ANTICANCER AGENTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1993-11-25 WO disclosed