SCHEMBL9629641

SCHEMBL9629641

COc1ccc(C)c([N+](=O)[O-])c1C(=O)c1c(OC)ccc(C)c1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
POLB P06746 2/20 0.61
KDM4E B2RXH2 1/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
ALDH1A1 P00352 6/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 4/20 0.43
PKM P14618 1/20 0.42
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 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
SCHEMBL2309314 0.82 ALDH1A1 (0.54) TDP1L3MBTL1POLBKDM4ECTDSP1
SCHEMBL30178197 0.79 ALDH1A1 (0.50) TDP1L3MBTL1POLBKDM4ECTDSP1
SCHEMBL10732474 0.79 ALDH1A1 (0.50) TDP1L3MBTL1POLBKDM4ECTDSP1
SCHEMBL23888282 0.79 POLB (0.59) TDP1L3MBTL1POLBKDM4ECTDSP1
SCHEMBL15834222 0.77 TDP1 (0.72) TDP1L3MBTL1POLBKDM4ECTDSP1
SCHEMBL14420116 0.77 TDP1 (0.49) TDP1L3MBTL1POLBKDM4ECTDSP1
SCHEMBL10912275 0.77 TDP1 (0.72) TDP1L3MBTL1POLBKDM4ECTDSP1
SCHEMBL28034520 0.77 TDP1 (0.51) TDP1L3MBTL1POLBKDM4ECTDSP1
SCHEMBL11855341 0.76 POLB (0.52) TDP1L3MBTL1POLBKDM4ECTDSP1
SCHEMBL12190644 0.76 SMN1; SMN2 (0.54) TDP1L3MBTL1POLBKDM4ECTDSP1

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
EP-0485157-A2 Esters and amides of substituted pyrrole acetic acids FGN, INC. (US) 1992-05-13 EP disclosed