SCHEMBL9300528

SCHEMBL9300528

CCOC(=O)C(C)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1C(C)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.48
KDM4E B2RXH2 2/20 0.45
POLB P06746 2/20 0.45
GLA P06280 1/20 0.45
TOP2A P11388 10/20 0.43
TOP2B Q02880 8/20 0.43
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PRNP P04156 1/20 0.37
LY6K Q17RY6 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL9300901 0.89 KDM4E (0.48) ELANEKDM4EPOLBGLATOP2A
SCHEMBL9300661 0.87 TOP2A (0.47) ELANEKDM4EPOLBGLATOP2A
SCHEMBL9300791 0.82 TOP2A (0.59) ELANEKDM4EPOLBGLATOP2A
SCHEMBL9299716 0.81 POLB (0.43) ELANEKDM4EPOLBGLATOP2A
SCHEMBL9300635 0.80 KDM4E (0.42) ELANEKDM4EPOLBGLATOP2A
SCHEMBL9300832 0.79 TOP2A (0.47) KDM4EPOLBGLATOP2ATOP2B
SCHEMBL9300653 0.79 POLB (0.47) KDM4EPOLBGLATOP2ATOP2B
SCHEMBL9301423 0.77 KDM4E (0.46) KDM4EPOLBGLATOP2ATOP2B
SCHEMBL9301381 0.77 TOP2A (0.45) KDM4EPOLBGLATOP2ATOP2B
SCHEMBL9547241 0.75 TOP2A (0.51) KDM4EPOLBGLATOP2ATOP2B

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