SCHEMBL9300980

SCHEMBL9300980

CC(=O)CCCCC(=O)OCc1cc(N)cc(Nc2c3ccccc3nc3ccccc23)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 13/20 0.70
TOP2B Q02880 8/20 0.70
POLB P06746 3/20 0.44
RAD52 P43351 3/20 0.44
KDM1A O60341 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
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
SCHEMBL9300015 0.98 TOP2A (0.70) TOP2ATOP2BPOLBRAD52KDM1A
SCHEMBL9299946 0.94 TOP2A (0.72) TOP2ATOP2BPOLBRAD52KDM1A
SCHEMBL9301432 0.87 TOP2A (0.61) TOP2ATOP2BPOLBRAD52KDM1A
SCHEMBL8490361 0.86 TOP2A (0.80) TOP2ATOP2BPOLBRAD52KDM1A
SCHEMBL9301391 0.85 TOP2A (0.63) TOP2ATOP2BPOLBKDM4E
SCHEMBL9300031 0.85 TOP2A (0.61) TOP2ATOP2BPOLBRAD52KDM1A
SCHEMBL9300848 0.84 TOP2A (0.64) TOP2ATOP2BPOLBRAD52L3MBTL1
SCHEMBL9300004 0.84 TOP2A (0.70) TOP2ATOP2BPOLBRAD52KDM1A
SCHEMBL9300970 0.82 TOP2A (0.67) TOP2ATOP2BPOLBRAD52KDM1A
SCHEMBL8489520 0.82 TOP2A (1.00) TOP2ATOP2BPOLBRAD52KDM1A

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 2 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