SCHEMBL9547262

SCHEMBL9547262

CCC(I)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1C(I)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 5/20 0.46
TOP2B Q02880 5/20 0.46
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 4/20 0.39
MAPT P10636 3/20 0.39
KDM1A O60341 4/20 0.38
POLB P06746 4/20 0.38
LY6K Q17RY6 1/20 0.36
RAD52 P43351 3/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MITF O75030 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TTR P02766 1/20 0.35
GLA P06280 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
SCHEMBL9547241 0.77 TOP2A (0.51) TOP2ATOP2BKMT2AMEN1GAA
SCHEMBL9300759 0.74 TOP2B (0.53) TOP2ATOP2BKMT2AMEN1GAA
SCHEMBL9299716 0.73 POLB (0.43) TOP2ATOP2BKMT2AMEN1GAA
SCHEMBL9300528 0.73 ELANE (0.48) TOP2ATOP2BKMT2AMEN1GAA
SCHEMBL9547266 0.71 KDM1A (0.44) TOP2ATOP2BKMT2AMEN1GAA
SCHEMBL9300653 0.71 POLB (0.47) TOP2ATOP2BKMT2AMEN1GAA
SCHEMBL9300832 0.71 TOP2A (0.47) TOP2ATOP2BKMT2AMEN1GAA
SCHEMBL9300635 0.70 KDM4E (0.42) TOP2ATOP2BKMT2AMEN1GAA
SCHEMBL9300661 0.69 TOP2A (0.47) TOP2ATOP2BKMT2AMEN1GAA
SCHEMBL9300901 0.69 KDM4E (0.48) TOP2ATOP2BKMT2AMEN1GAA

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
WO-1993023049-A1 3-(9-ACRIDINYLAMINO)-5-HYDROXYMETHYLANILINE DERIVATIVES AS ANTICANCER AGENTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1993-11-25 WO claimed