SCHEMBL9547292

SCHEMBL9547292

OCCc1cc(NCCCCCl)c(CCCCCl)c(Nc2c3ccccc3nc3ccccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.46
RAD52 P43351 3/20 0.46
GAA P10253 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MITF O75030 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TTR P02766 1/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
TOP2A P11388 2/20 0.40
TOP2B Q02880 2/20 0.40
CYP2C19 P33261 1/20 0.40
SLC2A1 P11166 2/20 0.39
NPC1 O15118 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL9547265 0.79 TOP2A (0.46) POLBRAD52GAARAB9AKDM4E
SCHEMBL9300639 0.76 TOP2A (0.60) POLBRAD52KDM4EALDH1A1GLA
SCHEMBL9301604 0.74 TOP2B (0.45) POLBRAD52GAARAB9AKDM4E
SCHEMBL9547245 0.74 TOP2A (0.48) POLBRAD52GAARAB9AKDM4E
SCHEMBL9301729 0.73 TOP2B (0.45) POLBRAD52GAARAB9AKDM4E
SCHEMBL9300965 0.73 TOP2A (0.45) POLBRAD52GAARAB9AKDM4E
SCHEMBL9299718 0.73 TOP2A (0.64) POLBRAD52KDM4EGLAKMT2A
SCHEMBL9301922 0.71 TOP2A (0.43) POLBRAD52GAARAB9AKDM4E
SCHEMBL9300764 0.70 TOP2B (0.53) POLBRAD52GAARAB9AKDM4E
SCHEMBL9301751 0.69 TOP2B (0.47) POLBRAD52GAARAB9AKDM4E

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