SCHEMBL9149685

SCHEMBL9149685

O=c1ccc2c([N+](=O)[O-])cccc2o1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
GAA P10253 1/20 0.58
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 6/20 0.51
CYP2A6 P11509 5/20 0.49
LMNA P02545 1/20 0.48
GPR35 Q9HC97 1/20 0.42
CYP3A4 P08684 2/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42

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
SCHEMBL5578170 0.79 ALDH1A1 (0.55) MAPTMEN1KMT2AGAATDP1
SCHEMBL14264177 0.76 TDP1 (0.44) MAPTMEN1KMT2AGAATDP1
SCHEMBL13799209 0.76 ALDH1A1 (0.45) MAPTMEN1KMT2AGAATDP1
SCHEMBL999018 0.76 MAPT (0.43) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL29434953 0.76 MAPT (0.43) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL663238 0.74 TDP1 (0.57) MAPTMEN1KMT2AGAATDP1
SCHEMBL8039855 0.74 MEN1 (1.00) MAPTMEN1KMT2AGAATDP1
SCHEMBL20125060 0.74 MAPT (0.66) MAPTMEN1KMT2AGAATDP1
SCHEMBL28007963 0.73 ALDH1A1 (0.47) MAPTMEN1KMT2AGAATDP1
SCHEMBL10565737 0.73 MAOA (0.55) MAPTMEN1KMT2AGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609211-A4 ADENOSINE DIPHOSPHORIBOSE POLYMERASE BINDING NITROSO AROMATIC COMPOUNDS USEFUL AS ANTI-TUMOR AND ANTI-RETROVIRAL AGENTS. OCTAMER INC (US) 1995-02-01 EP disclosed
EP-0609211-A1 ADENOSINE DIPHOSPHORIBOSE POLYMERASE BINDING NITROSO AROMATIC COMPOUNDS USEFUL AS ANTI-TUMOR AND ANTI-RETROVIRAL AGENTS OCTAMER, INC. (US) 1994-08-10 EP disclosed