SCHEMBL9547241

SCHEMBL9547241

CC(Br)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1C(C)Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 5/20 0.51
TOP2B Q02880 5/20 0.51
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
KDM1A O60341 5/20 0.40
POLB P06746 4/20 0.40
RAD52 P43351 3/20 0.37
RAB9A P51151 2/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TTR P02766 1/20 0.37
GLA P06280 1/20 0.37
GFER P55789 1/20 0.37
CACNA2D1 P54289 1/20 0.36
ATM Q13315 1/20 0.36
MAPK1 P28482 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
SCHEMBL9300759 0.78 TOP2B (0.53) TOP2ATOP2BMEN1KMT2AGAA
SCHEMBL9547262 0.77 TOP2A (0.46) TOP2ATOP2BMEN1KMT2AGAA
SCHEMBL9300528 0.75 ELANE (0.48) TOP2ATOP2BMEN1KMT2AGAA
SCHEMBL9299716 0.72 POLB (0.43) TOP2ATOP2BMEN1KMT2AGAA
SCHEMBL9300901 0.72 KDM4E (0.48) TOP2ATOP2BMEN1KMT2AGAA
SCHEMBL9300661 0.72 TOP2A (0.47) TOP2ATOP2BMEN1KMT2AGAA
SCHEMBL9300635 0.70 KDM4E (0.42) TOP2ATOP2BMEN1KMT2AGAA
SCHEMBL9300832 0.69 TOP2A (0.47) TOP2ATOP2BMEN1KMT2AGAA
SCHEMBL9300653 0.69 POLB (0.47) TOP2ATOP2BMEN1KMT2AGAA
SCHEMBL9300047 0.69 KMT2A (0.53) TOP2ATOP2BMEN1KMT2AGAA

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