SCHEMBL9300911

SCHEMBL9300911

O=S(O)CCCNc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 10/20 0.59
TOP2B Q02880 9/20 0.59
POLB P06746 4/20 0.46
RAD52 P43351 4/20 0.46
KDM1A O60341 2/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MITF O75030 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TTR P02766 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL9301580 0.85 TOP2A (0.71) TOP2ATOP2BPOLBRAD52KDM1A
SCHEMBL9300784 0.84 TOP2A (0.65) TOP2ATOP2BPOLBRAD52KDM1A
SCHEMBL9299578 0.83 TOP2A (0.64) TOP2ATOP2BPOLBRAD52KDM1A
SCHEMBL9299690 0.83 TOP2A (0.73) TOP2ATOP2BPOLBRAD52KDM1A
SCHEMBL9300228 0.83 TOP2A (0.61) TOP2ATOP2BPOLBRAD52KDM1A
SCHEMBL9301553 0.83 TOP2A (0.69) TOP2ATOP2BPOLBRAD52KDM1A
SCHEMBL9299575 0.82 TOP2A (0.62) TOP2ATOP2BPOLBRAD52KDM1A
SCHEMBL9300658 0.81 TOP2A (0.64) TOP2ATOP2BPOLBRAD52KDM1A
SCHEMBL9301428 0.81 TOP2A (0.64) TOP2ATOP2BPOLBRAD52KDM1A
SCHEMBL9300917 0.81 TOP2A (0.67) TOP2ATOP2BPOLBRAD52KDM1A

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 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