SCHEMBL9301423

SCHEMBL9301423

CCCC(C(=O)OCC)c1c(NC(C)=O)cc(CO)cc1Nc1c2ccccc2nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.46
GLA P06280 1/20 0.46
KMT2A Q03164 2/20 0.43
RAD52 P43351 2/20 0.43
KDM1A O60341 1/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TOP2A P11388 10/20 0.43
TOP2B Q02880 7/20 0.43
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
NCOA3 Q9Y6Q9 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
SCHEMBL9300653 0.93 POLB (0.47) KDM4EPOLBGLAKMT2ARAD52
SCHEMBL9300635 0.89 KDM4E (0.42) KDM4EPOLBGLAKMT2ARAD52
SCHEMBL9301381 0.89 TOP2A (0.45) KDM4EPOLBGLAKMT2ARAD52
SCHEMBL9300901 0.88 KDM4E (0.48) KDM4EPOLBGLAKMT2ARAD52
SCHEMBL9299716 0.81 POLB (0.43) KDM4EPOLBGLAKMT2ASMN1; SMN2
SCHEMBL9300832 0.81 TOP2A (0.47) KDM4EPOLBGLAKMT2AKDM1A
SCHEMBL9300208 0.80 KDM4E (0.48) KDM4EPOLBGLAKMT2ARAD52
SCHEMBL9300903 0.79 TOP2A (0.51) KDM4EPOLBGLAKMT2ARAD52
SCHEMBL9300661 0.78 TOP2A (0.47) KDM4EPOLBGLAKMT2ARAD52
SCHEMBL9300657 0.78 TOP2A (0.53) KDM4EPOLBGLAKMT2ARAD52

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