SCHEMBL9301920

SCHEMBL9301920

CCC(Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1C(CC)=S=O)=S=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.45
TOP2B Q02880 5/20 0.45
KDM1A O60341 4/20 0.40
KMT2A Q03164 2/20 0.40
RAD52 P43351 2/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
LY6K Q17RY6 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.38
GLA P06280 1/20 0.37
HDAC3 O15379 1/20 0.37

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
SCHEMBL9300047 0.76 KMT2A (0.53) TOP2ATOP2BKDM1AKMT2ARAD52
SCHEMBL9300158 0.73 TOP2A (0.50) TOP2ATOP2BKDM1AKMT2ARAD52
SCHEMBL9547253 0.72 KDM1A (0.42) TOP2ATOP2BKDM1AKMT2ARAD52
SCHEMBL9300142 0.71 TOP2A (0.56) TOP2ATOP2BKDM1AKMT2ARAD52
SCHEMBL9301849 0.70 TOP2A (0.43) TOP2ATOP2BKDM1AKMT2ARAD52
SCHEMBL9300026 0.69 TOP2B (0.46) TOP2ATOP2BKDM1AKMT2ARAD52
SCHEMBL9547262 0.67 TOP2A (0.46) TOP2ATOP2BKDM1AKMT2ARAD52
SCHEMBL9300208 0.66 KDM4E (0.48) TOP2ATOP2BKDM1AKMT2ARAD52
SCHEMBL9300901 0.66 KDM4E (0.48) TOP2ATOP2BKDM1AKMT2ARAD52
SCHEMBL9300052 0.66 TOP2A (0.73) TOP2ATOP2BKDM1AKMT2ARAD52

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