SCHEMBL9301381

SCHEMBL9301381

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 10/20 0.45
TOP2B Q02880 7/20 0.45
KDM4E B2RXH2 2/20 0.43
GLA P06280 2/20 0.43
POLB P06746 1/20 0.43
KDM1A O60341 1/20 0.40
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAD52 P43351 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL9300832 0.93 TOP2A (0.47) TOP2ATOP2BKDM4EGLAPOLB
SCHEMBL9301423 0.89 KDM4E (0.46) TOP2ATOP2BKDM4EGLAPOLB
SCHEMBL9300661 0.88 TOP2A (0.47) TOP2ATOP2BKDM4EGLAPOLB
SCHEMBL9300635 0.87 KDM4E (0.42) TOP2ATOP2BKDM4EGLAPOLB
SCHEMBL9300653 0.81 POLB (0.47) TOP2ATOP2BKDM4EGLAPOLB
SCHEMBL9299716 0.80 POLB (0.43) TOP2ATOP2BKDM4EGLAPOLB
SCHEMBL9300352 0.79 TOP2A (0.48) TOP2ATOP2BKDM4EGLAPOLB
SCHEMBL9300901 0.78 KDM4E (0.48) TOP2ATOP2BKDM4EGLAPOLB
SCHEMBL9300528 0.77 ELANE (0.48) TOP2ATOP2BKDM4EGLAPOLB
SCHEMBL9300665 0.77 TOP2A (0.52) TOP2ATOP2BKDM4EGLAPOLB

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