SCHEMBL9300965

SCHEMBL9300965

O=S(=O)=CCCNc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1CCC=S(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 5/20 0.45
TOP2B Q02880 5/20 0.45
POLB P06746 5/20 0.40
RAD52 P43351 4/20 0.40
GAA P10253 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TTR P02766 1/20 0.40
GLA P06280 1/20 0.40
KDM1A O60341 2/20 0.39
KMT2A Q03164 6/20 0.38
GFER P55789 2/20 0.38
MEN1 O00255 4/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 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
SCHEMBL9301922 0.86 TOP2A (0.43) TOP2ATOP2BPOLBRAD52GAA
SCHEMBL9547245 0.81 TOP2A (0.48) TOP2ATOP2BPOLBRAD52GAA
SCHEMBL9547265 0.79 TOP2A (0.46) TOP2ATOP2BPOLBRAD52GAA
SCHEMBL9300764 0.78 TOP2B (0.53) TOP2ATOP2BPOLBRAD52GAA
SCHEMBL9301751 0.78 TOP2B (0.47) TOP2ATOP2BPOLBRAD52GAA
SCHEMBL9301604 0.76 TOP2B (0.45) TOP2ATOP2BPOLBRAD52GAA
SCHEMBL9300829 0.75 TOP2B (0.47) TOP2ATOP2BPOLBRAD52GAA
SCHEMBL9300532 0.75 TOP2A (0.62) TOP2ATOP2BPOLBGAARAB9A
SCHEMBL9299718 0.75 TOP2A (0.64) TOP2ATOP2BPOLBRAD52KDM4E
SCHEMBL9302086 0.74 TOP2A (0.50) TOP2ATOP2BPOLBRAD52GAA

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 2 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