SCHEMBL9039039

SCHEMBL9039039

O=C(O)c1cc2ncccc2c2cc([N+](=O)[O-])cc(C(=O)OC(=O)c3cc([N+](=O)[O-])cc4c3c(C(=O)O)cc3ncccc34)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 5/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ NCOA1 Q15788 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ TDP1 Q9NUW8 4/20 0.36
▸ HTT P42858 3/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ALOX12 P18054 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36

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
SCHEMBL9077993 0.83 KDM4E (0.49) MAPTALDH1A1KDM4ETDP1HTT
SCHEMBL9218783 0.82 KMT2A (0.39) KMT2AMEN1MAPTKDM4ENCOA1
SCHEMBL9077636 0.81 CDK2 (0.47) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL9219060 0.81 KDM4E (0.45) MAPTALDH1A1KDM4ETDP1HTT
SCHEMBL9041329 0.80 KDM4E (0.42) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL30437811 0.80 MAPT (0.52) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL9038865 0.77 HASPIN (0.38) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL9208479 0.77 MAPT (0.37) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL9684699 0.73 ALDH1A1 (0.42) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL9215091 0.72 CDK2 (0.53) KMT2AMEN1MAPTALDH1A1POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5585382-A ANTICARCINOGENIC AGENTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-17 — — US disclosed
EP-0705250-A1 BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-04-10 — — EP disclosed
US-5416089-A Antitumor agent THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-05-16 — — US disclosed
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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