SCHEMBL9218798

SCHEMBL9218798

O=C1c2cc([N+](=O)[O-])cc3c2c(cc2ncccc23)C(=O)N1CCCCNCCCN1C(=O)c2cc([N+](=O)[O-])cc3c2c(cc2ncccc23)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.44
SIRT1 Q96EB6 1/20 0.41
MEN1 O00255 3/20 0.40
POLB P06746 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
MITF O75030 1/20 0.40
CASP6 P55212 1/20 0.40
RAB9A P51151 2/20 0.40
PABPC1 P11940 3/20 0.39
S1PR1 P21453 1/20 0.39
HTT P42858 1/20 0.39
RAD52 P43351 1/20 0.39
RECQL P46063 1/20 0.39
PAX8 Q06710 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL9079040 0.95 FTO (0.43) FTOSIRT1MEN1POLBKMT2A
SCHEMBL9215894 0.92 FTO (0.47) FTOSIRT1MEN1POLBKMT2A
SCHEMBL9078910 0.89 FTO (0.54) FTOSIRT1MEN1POLBKMT2A
SCHEMBL9079213 0.89 FTO (0.46) FTOMEN1POLBKMT2AKDM4E
SCHEMBL9210190 0.86 FTO (0.47) FTOSIRT1MEN1POLBKMT2A
SCHEMBL9078108 0.86 FTO (0.55) FTOSIRT1MEN1POLBKMT2A
SCHEMBL9218691 0.84 FTO (0.48) FTOSIRT1MEN1POLBKMT2A
SCHEMBL9080576 0.82 FTO (0.46) FTOSIRT1MEN1POLBKMT2A
SCHEMBL9217035 0.82 FTO (0.49) FTOSIRT1MEN1POLBKMT2A
SCHEMBL9220258 0.82 FTO (0.56) FTOSIRT1MEN1POLBKMT2A

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-1995000490-A1 BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-01-05 WO disclosed