SCHEMBL9301580

SCHEMBL9301580

O=C(O)CCCNc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 11/20 0.71
TOP2B Q02880 9/20 0.71
POLB P06746 3/20 0.47
RAD52 P43351 3/20 0.47
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ATM Q13315 1/20 0.44
KDM1A O60341 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MITF O75030 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL9299690 0.93 TOP2A (0.73) TOP2ATOP2BPOLBRAD52HDAC3
SCHEMBL9300228 0.90 TOP2A (0.61) TOP2ATOP2BPOLBRAD52HDAC3
SCHEMBL9300857 0.87 TOP2A (0.54) TOP2ATOP2BPOLBRAD52HDAC3
SCHEMBL9299935 0.87 TOP2A (0.68) TOP2ATOP2BPOLBRAD52HDAC3
SCHEMBL9301385 0.86 TOP2A (0.69) TOP2ATOP2BPOLBRAD52HDAC3
SCHEMBL9300911 0.85 TOP2A (0.59) TOP2ATOP2BPOLBRAD52HDAC3
SCHEMBL9300784 0.85 TOP2A (0.65) TOP2ATOP2BPOLBRAD52HDAC3
SCHEMBL9299578 0.84 TOP2A (0.64) TOP2ATOP2BPOLBRAD52HDAC3
SCHEMBL9301670 0.84 TOP2A (0.51) TOP2ATOP2BPOLBRAD52HDAC3
SCHEMBL9300814 0.84 TOP2A (0.64) 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 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