SCHEMBL9404875

SCHEMBL9404875

Nc1cc([N+](=O)[O-])ccc1N1CCN(C=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
APEX1 P27695 1/20 0.51
CASP6 P55212 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 11/20 0.49
HPGD P15428 1/20 0.48
GAA P10253 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 5/20 0.46
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
USP8 P40818 1/20 0.44
USP7 Q93009 1/20 0.44
THRB P10828 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL27927948 0.84 ALDH1A1 (0.67) ALDH1A1HPGDGAASMN1; SMN2LMNA
SCHEMBL839543 0.83 GAA (0.67) POLBAPEX1CASP6CTDSP1TDP1
SCHEMBL27927171 0.83 MEN1 (0.53) TDP1ALDH1A1HPGDGAASMN1; SMN2
SCHEMBL25027266 0.83 ALDH1A1 (0.66) POLBALDH1A1HPGDGAALMNA
SCHEMBL1969337 0.82 SIRT6 (0.58) POLBAPEX1CASP6CTDSP1TDP1
SCHEMBL29979387 0.82 GAA (0.69) POLBAPEX1CASP6CTDSP1TDP1
SCHEMBL23043630 0.82 GAA (0.69) POLBAPEX1CASP6CTDSP1TDP1
SCHEMBL1842961 0.79 ADRB1 (0.58) POLBAPEX1CASP6CTDSP1TDP1
SCHEMBL3252577 0.79 ALDH1A1 (0.66) POLBAPEX1CASP6CTDSP1TDP1
SCHEMBL31177578 0.77 ALDH1A1 (0.68) POLBAPEX1CASP6CTDSP1TDP1

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
EP-0296597-B1 Hexa-cyclic compound DAIICHI SEIYAKU CO (JP) 1994-09-21 EP disclosed
US-5061795-A ANTITUMOR AGENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 US disclosed
US-4939255-A Hexa-cyclic camptothecin derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-07-03 US disclosed
EP-0296597-A2 Hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1988-12-28 EP disclosed