SCHEMBL9620795

SCHEMBL9620795

COc1ccc2c(c1[N+](=O)[O-])CC[C]=C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.41
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 5/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.33
PKM P14618 1/20 0.33
CYP19A1 P11511 1/20 0.33
PTGS2 P35354 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL9620797 0.82 PKM (0.42) TDP1KDM4EL3MBTL1POLBCTDSP1
SCHEMBL1179747 0.71 TDP1 (0.62) TDP1KDM4EL3MBTL1POLBCTDSP1
SCHEMBL29396391 0.71 TDP1 (0.62) TDP1KDM4EL3MBTL1POLBCTDSP1
SCHEMBL9782126 0.70 TDP1 (0.38) TDP1KDM4EL3MBTL1POLBCTDSP1
SCHEMBL9621177 0.70 SIRT6 (0.40) TDP1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL8730062 0.69 TDP1 (0.45) TDP1KDM4EL3MBTL1POLBCTDSP1
SCHEMBL9620762 0.69 ALDH1A1 (0.33) TDP1MEN1KMT2AALDH1A1
SCHEMBL2062200 0.67 KDM4E (0.43) TDP1KDM4EL3MBTL1POLBCTDSP1
SCHEMBL28215127 0.66 TDP1 (0.56) TDP1KDM4EL3MBTL1POLBCTDSP1
SCHEMBL6112969 0.66 ALDH1A1 (0.50) TDP1KDM4EL3MBTL1POLBCTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0284359-B1 1,4-DISUBSTITUTED PIPERAZINE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-01-08 EP disclosed
EP-0369810-A2 PAF antagonists as anti-hyperendothelinemia agents Takeda Chemical Industries, Ltd. (JP) 1990-05-23 EP disclosed
EP-0368670-A1 Trisubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-05-16 EP disclosed
US-4880809-A HYPOTENSIVE AGENTS, AMIDE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-14 US disclosed
EP-0284359-A1 1,4-Disubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-09-28 EP disclosed