SCHEMBL9218783

SCHEMBL9218783

CS(=O)(=O)OC(=O)c1cc([N+](=O)[O-])cc2c1c(C(=O)OS(C)(=O)=O)cc1ncccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 3/20 0.37
▸ L3MBTL1 Q9Y468 4/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALOX12 P18054 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CASP6 P55212 1/20 0.35

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
SCHEMBL9218961 0.84 KDM4E (0.47) KMT2AMEN1HTTL3MBTL1KDM4E
SCHEMBL9039039 0.82 KMT2A (0.41) KMT2AMEN1HTTL3MBTL1NCOA1
SCHEMBL27335609 0.71 PABPC1 (0.50) KMT2AMEN1HTTKDM4ELMNA
SCHEMBL30437811 0.71 MAPT (0.52) KMT2AMEN1HTTL3MBTL1NCOA1
SCHEMBL9039042 0.67 ALDH1A1 (0.47) KMT2AMEN1HTTL3MBTL1NCOA1
SCHEMBL9077944 0.67 ALDH1A1 (0.50) KMT2AMEN1HTTKDM4ETDP1
SCHEMBL9079213 0.66 FTO (0.46) KMT2AMEN1HTTL3MBTL1KDM4E
SCHEMBL28553829 0.66 NQO2 (0.51) KMT2AMEN1HTTL3MBTL1NCOA1
SCHEMBL9077993 0.66 KDM4E (0.49) HTTL3MBTL1KDM4ETDP1LMNA
SCHEMBL9079040 0.66 FTO (0.43) KMT2AMEN1HTTKDM4ELMNA

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
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