SCHEMBL9300532

SCHEMBL9300532

CCOC(=O)CCNc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1CCC(=O)OCC

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 9/20 0.62
KDM4E B2RXH2 3/20 0.44
POLB P06746 2/20 0.44
GLA P06280 2/20 0.44
TOP2B Q02880 5/20 0.43
ELANE P08246 2/20 0.43
PDE5A O76074 1/20 0.43
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.39
RAB9A P51151 1/20 0.39
PDE10A Q9Y233 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL9299718 0.92 TOP2A (0.64) TOP2AKDM4EPOLBGLATOP2B
SCHEMBL9300639 0.91 TOP2A (0.60) TOP2AKDM4EPOLBGLATOP2B
SCHEMBL9300903 0.89 TOP2A (0.51) TOP2AKDM4EPOLBGLATOP2B
SCHEMBL9300665 0.88 TOP2A (0.52) TOP2AKDM4EPOLBGLATOP2B
SCHEMBL9300657 0.84 TOP2A (0.53) TOP2AKDM4EPOLBGLATOP2B
SCHEMBL9301425 0.83 TOP2A (0.53) TOP2AKDM4EPOLBGLATOP2B
SCHEMBL9300838 0.83 TOP2A (0.54) TOP2AKDM4EPOLBGLATOP2B
SCHEMBL9300797 0.82 TOP2A (0.67) TOP2AKDM4EPOLBGLATOP2B
SCHEMBL9301382 0.82 TOP2A (0.53) TOP2AKDM4EPOLBGLATOP2B
SCHEMBL9300352 0.80 TOP2A (0.48) TOP2AKDM4EPOLBGLATOP2B

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