SCHEMBL9300538

SCHEMBL9300538

CCOC(=O)CCNc1cc(COCCC(=O)OCC)cc(Nc2c3ccccc3nc3ccccc23)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 12/20 0.63
TOP2B Q02880 8/20 0.51
KDM4E B2RXH2 2/20 0.45
POLB P06746 2/20 0.45
GLA P06280 1/20 0.45
PDE5A O76074 1/20 0.43
ELANE P08246 1/20 0.43
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC2A1 P11166 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 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
SCHEMBL9299722 0.91 TOP2A (0.64) TOP2ATOP2BKDM4EPOLBGLA
SCHEMBL9300642 0.90 TOP2A (0.60) TOP2ATOP2BKDM4EPOLBGLA
SCHEMBL9300797 0.89 TOP2A (0.67) TOP2ATOP2BKDM4EPOLBGLA
SCHEMBL9300912 0.89 TOP2A (0.53) TOP2ATOP2BKDM4EPOLBGLA
SCHEMBL9300671 0.87 TOP2A (0.66) TOP2ATOP2BKDM4EPOLBGLA
SCHEMBL9299922 0.86 TOP2A (0.56) TOP2ATOP2BKDM4EPOLBMAPT
SCHEMBL9299935 0.83 TOP2A (0.68) TOP2ATOP2BKDM4EPOLBGLA
SCHEMBL9300667 0.83 TOP2A (0.53) TOP2ATOP2BKDM4EPOLBGLA
SCHEMBL9300814 0.83 TOP2A (0.64) TOP2ATOP2BKDM4EPOLBGLA
SCHEMBL9300848 0.83 TOP2A (0.64) TOP2ATOP2BKDM4EPOLBGLA

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