SCHEMBL9300838

SCHEMBL9300838

CCOC(=O)CCCc1c(N)cc(CO)cc1Nc1c2ccccc2nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 10/20 0.54
TOP2B Q02880 6/20 0.46
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.44
GLA P06280 1/20 0.44
PDE5A O76074 1/20 0.43
ELANE P08246 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM1A O60341 1/20 0.40
FAAH O00519 1/20 0.40
ABCB1 P08183 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
SCHEMBL9301382 0.97 TOP2A (0.53) TOP2ATOP2BKDM4EPOLBGLA
SCHEMBL9300665 0.95 TOP2A (0.52) TOP2ATOP2BKDM4EPOLBGLA
SCHEMBL9300352 0.89 TOP2A (0.48) TOP2ATOP2BKDM4EPOLBGLA
SCHEMBL9300657 0.88 TOP2A (0.53) TOP2ATOP2BKDM4EPOLBGLA
SCHEMBL9299718 0.88 TOP2A (0.64) TOP2ATOP2BKDM4EPOLBGLA
SCHEMBL9301425 0.85 TOP2A (0.53) TOP2ATOP2BKDM4EPOLBGLA
SCHEMBL9300639 0.85 TOP2A (0.60) TOP2ATOP2BKDM4EPOLBGLA
SCHEMBL9300532 0.83 TOP2A (0.62) TOP2ATOP2BKDM4EPOLBGLA
SCHEMBL9300903 0.83 TOP2A (0.51) TOP2ATOP2BKDM4EPOLBGLA
SCHEMBL9300208 0.79 KDM4E (0.48) 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