SCHEMBL9300993

SCHEMBL9300993

[CH2]CCOCc1cc(N)cc(Nc2c3ccccc3nc3ccccc23)c1.[NaH]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 9/20 0.65
TOP2B Q02880 8/20 0.65
KDM1A O60341 6/20 0.49
POLB P06746 4/20 0.43
RAD52 P43351 4/20 0.43
KMT2A Q03164 3/20 0.43
GFER P55789 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC2A1 P11166 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL9547326 0.87 TOP2A (0.66) TOP2ATOP2BKDM1APOLBRAD52
SCHEMBL9547330 0.85 TOP2A (0.63) TOP2ATOP2BKDM1APOLBRAD52
SCHEMBL9300987 0.84 TOP2A (0.63) TOP2ATOP2BKDM1APOLBRAD52
SCHEMBL9301899 0.84 TOP2A (0.67) TOP2ATOP2BKDM1APOLBRAD52
SCHEMBL9300746 0.84 TOP2A (0.61) TOP2ATOP2BKDM1APOLBRAD52
SCHEMBL9301299 0.83 TOP2A (0.62) TOP2ATOP2BKDM1APOLBRAD52
SCHEMBL9301168 0.82 TOP2A (0.63) TOP2ATOP2BKDM1APOLBRAD52
SCHEMBL9300780 0.82 TOP2A (0.61) TOP2ATOP2BKDM1APOLBRAD52
SCHEMBL9299561 0.81 TOP2A (0.60) TOP2ATOP2BKDM1APOLBRAD52
SCHEMBL9301196 0.81 TOP2A (0.61) TOP2ATOP2BKDM1APOLBRAD52

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 4 patents. 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
WO-1993023049-A1 3-(9-ACRIDINYLAMINO)-5-HYDROXYMETHYLANILINE DERIVATIVES AS ANTICANCER AGENTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1993-11-25 WO claimed
US-5354864-A Antitumor agents SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1994-10-11 US disclosed
WO-1993023049-A1 3-(9-ACRIDINYLAMINO)-5-HYDROXYMETHYLANILINE DERIVATIVES AS ANTICANCER AGENTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1993-11-25 WO disclosed