SCHEMBL9300642

SCHEMBL9300642

CCOC(=O)CCCCNc1cc(COCCCCC(=O)OCC)cc(Nc2c3ccccc3nc3ccccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 11/20 0.60
TOP2B Q02880 7/20 0.49
PDE5A O76074 1/20 0.48
ELANE P08246 1/20 0.48
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYSLTR2 Q9NS75 2/20 0.40
CYSLTR1 Q9Y271 2/20 0.40
MMP13 P45452 1/20 0.40
LTA4H P09960 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 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
SCHEMBL9299722 0.95 TOP2A (0.64) TOP2ATOP2BPDE5AELANEKDM4E
SCHEMBL9300814 0.90 TOP2A (0.64) TOP2ATOP2BPDE5AELANEKDM4E
SCHEMBL9300538 0.90 TOP2A (0.63) TOP2ATOP2BPDE5AELANEKDM4E
SCHEMBL9301435 0.89 TOP2A (0.53) TOP2ATOP2BPDE5AELANEKDM4E
SCHEMBL9301391 0.89 TOP2A (0.63) TOP2ATOP2BPDE5AELANEKDM4E
SCHEMBL9299935 0.87 TOP2A (0.68) TOP2ATOP2BPDE5AELANEKDM4E
SCHEMBL9300667 0.86 TOP2A (0.53) TOP2ATOP2BPDE5AELANEKDM4E
SCHEMBL9300848 0.86 TOP2A (0.64) TOP2ATOP2BPDE5AELANEKDM4E
SCHEMBL9300857 0.84 TOP2A (0.54) TOP2ATOP2BKDM4EPOLBMAPT
SCHEMBL9300671 0.83 TOP2A (0.66) TOP2ATOP2BKDM4EGLAPOLB

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