SCHEMBL9300852

SCHEMBL9300852

CC(=O)Nc1cc(O)cc(Nc2c3ccccc3nc3ccccc23)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.72
KDM4E B2RXH2 3/20 0.72
MAPT P10636 3/20 0.72
POLB P06746 2/20 0.72
RAD52 P43351 2/20 0.72
L3MBTL1 Q9Y468 2/20 0.72
KDM1A O60341 2/20 0.72
LMNA P02545 2/20 0.72
MITF O75030 1/20 0.72
RECQL P46063 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
NPSR1 Q6W5P4 1/20 0.72
MEN1 O00255 3/20 0.59
GFER P55789 1/20 0.59
TOP2A P11388 6/20 0.54
TOP2B Q02880 5/20 0.54
NPC1 O15118 1/20 0.51
PABPC1 P11940 1/20 0.51
RAB9A P51151 1/20 0.51
ATM Q13315 1/20 0.51

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
SCHEMBL17154374 0.86 KMT2A (0.76) KMT2AKDM4EMAPTPOLBRAD52
SCHEMBL9300052 0.86 TOP2A (0.73) KMT2AKDM4EMAPTPOLBRAD52
SCHEMBL9300054 0.85 TOP2A (0.74) KMT2AKDM4EMAPTPOLBRAD52
SCHEMBL17154400 0.84 KDM1A (1.00) KMT2AKDM4EMAPTPOLBRAD52
SCHEMBL4658830 0.83 KDM1A (0.67) KMT2AKDM4EMAPTPOLBRAD52
SCHEMBL9300059 0.82 TOP2A (0.61) KMT2AKDM4EMAPTPOLBRAD52
SCHEMBL9299881 0.80 TOP2A (0.59) KMT2AKDM4EMAPTPOLBRAD52
SCHEMBL9547337 0.79 KDM4E (0.55) KMT2AKDM4EMAPTPOLBRAD52
SCHEMBL9300986 0.79 POLB (0.55) KMT2AKDM4EMAPTPOLBRAD52
SCHEMBL9300216 0.79 TOP2A (0.56) KMT2AKDM4EMAPTPOLBRAD52

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