SCHEMBL9300635

SCHEMBL9300635

CCCC(Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1C(CCC)C(=O)OCC)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
GLA P06280 2/20 0.42
POLB P06746 1/20 0.42
TOP2A P11388 10/20 0.41
TOP2B Q02880 7/20 0.41
ELANE P08246 2/20 0.40
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RAD52 P43351 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL9299716 0.89 POLB (0.43) KDM4EGLAPOLBTOP2ATOP2B
SCHEMBL9301423 0.89 KDM4E (0.46) KDM4EGLAPOLBTOP2ATOP2B
SCHEMBL9301381 0.87 TOP2A (0.45) KDM4EGLAPOLBTOP2ATOP2B
SCHEMBL9300811 0.82 TOP2A (0.56) KDM4EGLAPOLBTOP2ATOP2B
SCHEMBL9300653 0.81 POLB (0.47) KDM4EGLAPOLBTOP2ATOP2B
SCHEMBL9300832 0.80 TOP2A (0.47) KDM4EGLAPOLBTOP2ATOP2B
SCHEMBL9300528 0.80 ELANE (0.48) KDM4EGLAPOLBTOP2ATOP2B
SCHEMBL9300901 0.77 KDM4E (0.48) KDM4EGLAPOLBTOP2ATOP2B
SCHEMBL9300661 0.77 TOP2A (0.47) KDM4EGLAPOLBTOP2ATOP2B
SCHEMBL9299931 0.74 TOP2A (0.58) KDM4EGLAPOLBTOP2ATOP2B

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