SCHEMBL9300832

SCHEMBL9300832

CCOC(=O)C(CC)c1c(N)cc(CO)cc1Nc1c2ccccc2nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 9/20 0.47
TOP2B Q02880 7/20 0.47
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
KDM1A O60341 1/20 0.41
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37

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
SCHEMBL9301381 0.93 TOP2A (0.45) TOP2ATOP2BPOLBKDM4EGLA
SCHEMBL9300661 0.89 TOP2A (0.47) TOP2ATOP2BPOLBKDM4EGLA
SCHEMBL9300653 0.89 POLB (0.47) TOP2ATOP2BPOLBKDM4EGLA
SCHEMBL9299716 0.87 POLB (0.43) TOP2ATOP2BPOLBKDM4EGLA
SCHEMBL9301423 0.81 KDM4E (0.46) TOP2ATOP2BPOLBKDM4EGLA
SCHEMBL9300352 0.80 TOP2A (0.48) TOP2ATOP2BPOLBKDM4EGLA
SCHEMBL9300635 0.80 KDM4E (0.42) TOP2ATOP2BPOLBKDM4EGLA
SCHEMBL9300901 0.80 KDM4E (0.48) TOP2ATOP2BPOLBKDM4EGLA
SCHEMBL9300665 0.79 TOP2A (0.52) TOP2ATOP2BPOLBKDM4EGLA
SCHEMBL9300528 0.79 ELANE (0.48) TOP2ATOP2BPOLBKDM4EGLA

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