SCHEMBL9547253

SCHEMBL9547253

CCC(=S=O)c1c(Nc2c3ccccc3nc3ccccc23)cc(O)cc1N(C)C(CC)=S=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.42
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
GAA P10253 2/20 0.40
POLB P06746 4/20 0.37
RAD52 P43351 3/20 0.37
GFER P55789 1/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GLA P06280 2/20 0.36
MAPK1 P28482 1/20 0.36
LY6K Q17RY6 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL9301920 0.72 TOP2A (0.45) KDM1AKMT2AMEN1GAAPOLB
SCHEMBL9547266 0.68 KDM1A (0.44) KDM1AKMT2AMEN1GAAPOLB
SCHEMBL9547249 0.65 KDM1A (0.47) KDM1AKMT2AMEN1GAAPOLB
SCHEMBL9547296 0.62 MEN1 (0.39) KDM1AKMT2AMEN1GAAPOLB
SCHEMBL13692586 0.61 KDM1A (0.58) KDM1AKMT2AMEN1GAAPOLB
SCHEMBL4939495 0.59 MEN1 (0.67) KDM1AKMT2AMEN1GAAPOLB
SCHEMBL5404455 0.59 KMT2A (0.48) KDM1AKMT2AMEN1GAAPOLB
SCHEMBL4658830 0.58 KDM1A (0.67) KDM1AKMT2AMEN1GAAPOLB
SCHEMBL23630584 0.58 KDM1A (0.78) KDM1AKMT2AMEN1GAAPOLB
SCHEMBL9300047 0.58 KMT2A (0.53) KDM1AKMT2AMEN1GAAPOLB

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 disclosed