SCHEMBL9215894

SCHEMBL9215894

O=C1c2cc([N+](=O)[O-])cc3c2c(cc2ncccc23)C(=O)N1CCNCCNCCN1C(=O)c2cc([N+](=O)[O-])cc3c2c(cc2ncccc23)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.47
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
POLB P06746 3/20 0.42
LMNA P02545 2/20 0.42
MITF O75030 1/20 0.42
CASP6 P55212 1/20 0.42
RAB9A P51151 3/20 0.41
PABPC1 P11940 2/20 0.41
HTT P42858 3/20 0.40
S1PR1 P21453 1/20 0.40
RAD52 P43351 1/20 0.40
RECQL P46063 1/20 0.40
PAX8 Q06710 1/20 0.40
OGA O60502 1/20 0.38
HEXA P06865 1/20 0.38
HEXB P07686 1/20 0.38
CA12 O43570 1/20 0.37

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
SCHEMBL9079213 0.94 FTO (0.46) FTOMEN1KMT2AMAPTKDM4E
SCHEMBL9218798 0.92 FTO (0.44) FTOMEN1KMT2AMAPTKDM4E
SCHEMBL9079040 0.88 FTO (0.43) FTOMEN1KMT2AMAPTKDM4E
SCHEMBL9220267 0.84 FTO (0.52) FTOMEN1KMT2AMAPTKDM4E
SCHEMBL9217035 0.82 FTO (0.49) FTOMEN1KMT2AMAPTKDM4E
SCHEMBL9078910 0.82 FTO (0.54) FTOMEN1KMT2AMAPTKDM4E
SCHEMBL9079709 0.80 FTO (0.49) FTOMEN1KMT2AMAPTKDM4E
SCHEMBL9218691 0.80 FTO (0.48) FTOMEN1KMT2AMAPTKDM4E
SCHEMBL9078108 0.79 FTO (0.55) FTOMEN1KMT2AMAPTKDM4E
SCHEMBL9210190 0.78 FTO (0.47) FTOMEN1KMT2AMAPTKDM4E

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