SCHEMBL9547249

SCHEMBL9547249

CC(Br)c1c(Nc2c3ccccc3nc3ccccc23)cc(O)cc1N(C)C(C)Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 11/20 0.47
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
GAA P10253 4/20 0.44
POLB P06746 4/20 0.41
GFER P55789 2/20 0.41
RAD52 P43351 1/20 0.41
MAPT P10636 3/20 0.38
MAPK1 P28482 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
USP2 O75604 1/20 0.36
MCL1 Q07820 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 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
SCHEMBL9547266 0.77 KDM1A (0.44) KDM1AMEN1KMT2AGAAPOLB
SCHEMBL9547241 0.70 TOP2A (0.51) KDM1AMEN1KMT2AGAAPOLB
SCHEMBL9547296 0.68 MEN1 (0.39) KDM1AMEN1KMT2AGAAPOLB
SCHEMBL5404455 0.65 KMT2A (0.48) KDM1AMEN1KMT2AGAAPOLB
SCHEMBL9547253 0.65 KDM1A (0.42) KDM1AMEN1KMT2AGAAPOLB
SCHEMBL4939495 0.63 MEN1 (0.67) KDM1AMEN1KMT2AGAAPOLB
SCHEMBL4658830 0.62 KDM1A (0.67) KDM1AMEN1KMT2AGAAPOLB
SCHEMBL23630584 0.62 KDM1A (0.78) KDM1AMEN1KMT2AGAAPOLB
SCHEMBL14116117 0.61 KMT2A (0.97) KDM1AMEN1KMT2AGAAPOLB
SCHEMBL4939506 0.60 KDM1A (0.75) KDM1AMEN1KMT2AGAAPOLB

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 claimed