SCHEMBL9300667

SCHEMBL9300667

CCOC(=O)CCCOCc1cc(NC(C)=O)cc(Nc2c3ccccc3nc3ccccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 12/20 0.53
TOP2B Q02880 8/20 0.52
KDM4E B2RXH2 2/20 0.51
POLB P06746 2/20 0.51
KDM1A O60341 1/20 0.51
MITF O75030 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
RAD52 P43351 1/20 0.51
RECQL P46063 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GLA P06280 1/20 0.46
MMP13 P45452 1/20 0.42
PDE5A O76074 1/20 0.42
ELANE P08246 1/20 0.42
CYSLTR2 Q9NS75 2/20 0.41
CYSLTR1 Q9Y271 2/20 0.41

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
SCHEMBL9301435 0.97 TOP2A (0.53) TOP2ATOP2BKDM4EPOLBKDM1A
SCHEMBL9300912 0.94 TOP2A (0.53) TOP2ATOP2BKDM4EPOLBKDM1A
SCHEMBL9299881 0.89 TOP2A (0.59) TOP2ATOP2BKDM4EPOLBKDM1A
SCHEMBL9299722 0.89 TOP2A (0.64) TOP2ATOP2BKDM4EPOLBMAPT
SCHEMBL9300848 0.89 TOP2A (0.64) TOP2ATOP2BKDM4EPOLBMAPT
SCHEMBL9300216 0.89 TOP2A (0.56) TOP2ATOP2BKDM4EPOLBKDM1A
SCHEMBL9300642 0.86 TOP2A (0.60) TOP2ATOP2BKDM4EPOLBMAPT
SCHEMBL9301391 0.86 TOP2A (0.63) TOP2ATOP2BKDM4EPOLBGLA
SCHEMBL9300671 0.84 TOP2A (0.66) TOP2ATOP2BKDM4EPOLBKDM1A
SCHEMBL9300538 0.83 TOP2A (0.63) TOP2ATOP2BKDM4EPOLBMAPT

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 1 patent. 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