SCHEMBL11672480

SCHEMBL11672480

CCCCCCCCCCCCOC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.69
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ TTR P02766 1/20 0.48
▸ PPOX P50336 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ PLA2G1B P04054 1/20 0.46
▸ ATG4B Q9Y4P1 1/20 0.46
▸ PLA2G4B P0C869 1/20 0.43
▸ S1PR4 O95977 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PNLIP P16233 1/20 0.41

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
SCHEMBL11672622 1.00 TDP1 (0.69) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11672812 0.99 TDP1 (0.70) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11671817 0.92 TDP1 (0.74) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11110717 0.89 TDP1 (0.67) TDP1KMT2AMEN1TTRPPOX
SCHEMBL9852597 0.88 TDP1 (0.78) TDP1KMT2AMEN1TTRPPOX
SCHEMBL9342519 0.88 TDP1 (0.71) TDP1KMT2AMEN1TTRPPOX
SCHEMBL10785951 0.87 TDP1 (0.53) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11116172 0.87 TDP1 (0.68) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11673152 0.85 TDP1 (0.70) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11671733 0.85 TDP1 (0.64) TDP1KMT2AMEN1TTRPPOX

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
US-4001005-A PREEMERGENE, POSTEMERGENCE MOBIL OIL CORPORATION (US) 1977-01-04 — — US disclosed
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