SCHEMBL9300142

SCHEMBL9300142

CC(=O)CCC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1C(=O)CCC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.56
TOP2B Q02880 6/20 0.56
KDM4E B2RXH2 6/20 0.42
MAPT P10636 4/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM1A O60341 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
MITF O75030 1/20 0.42
RAD52 P43351 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 6/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HDAC3 O15379 2/20 0.40

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
SCHEMBL9300158 0.88 TOP2A (0.50) TOP2ATOP2BKDM4EMAPTKMT2A
SCHEMBL9300065 0.81 TOP2A (0.83) TOP2ATOP2BKDM4EMAPTKMT2A
SCHEMBL9300047 0.81 KMT2A (0.53) TOP2ATOP2BKDM4EMAPTKMT2A
SCHEMBL9300026 0.77 TOP2B (0.46) TOP2ATOP2BKDM4EMAPTKMT2A
SCHEMBL9299786 0.75 TOP2A (0.78) TOP2ATOP2BKDM4EMAPTKMT2A
SCHEMBL9300434 0.75 TOP2A (0.78) TOP2ATOP2BKDM4EMAPTKMT2A
SCHEMBL9301849 0.74 TOP2A (0.43) TOP2ATOP2BKDM4EMAPTKMT2A
SCHEMBL9302060 0.72 TOP2A (0.76) TOP2ATOP2BKDM4EMAPTKMT2A
SCHEMBL9301920 0.71 TOP2A (0.45) TOP2ATOP2BKDM4EMAPTKMT2A
SCHEMBL9300052 0.70 TOP2A (0.73) TOP2ATOP2BKDM4EMAPTKMT2A

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