SCHEMBL8085846

SCHEMBL8085846

CCC(C)OC(=O)C(Cc1cc([N+](=O)[O-])cc2nc(OC)c(OC)nc12)(NC(C)=O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
TYMS P04818 4/20 0.31
GNRHR P30968 1/20 0.30
ALDH1A1 P00352 1/20 0.30
DUSP3 P51452 1/20 0.30
PTPN5 P54829 1/20 0.30
PTPN11 Q06124 1/20 0.30

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
SCHEMBL8085842 0.83 ALDH1A1 (0.42) MAPTTDP1PKMKMT2AALDH1A1
SCHEMBL8090408 0.74 KMT2A (0.41) MAPTPKMKMT2AALDH1A1
SCHEMBL4063606 0.74 MEN1 (0.44) KMT2AALDH1A1
SCHEMBL5973317 0.69 NQO2 (0.40) MAPTTDP1KMT2ATYMSALDH1A1
SCHEMBL8078887 0.69 POLB (0.41) MAPTTDP1PKMKMT2ATYMS
SCHEMBL8086966 0.68 ALDH1A1 (0.39) MAPTKMT2AALDH1A1
SCHEMBL8085722 0.68 ALDH1A1 (0.42) MAPTKMT2AALDH1A1
SCHEMBL8078916 0.68 TRPV1 (0.48) MAPTKMT2AALDH1A1
SCHEMBL8078889 0.68 HTT (0.39) MAPTPKMKMT2ATYMSALDH1A1
SCHEMBL27462958 0.68 GRK6 (0.37) MAPTTDP1PKMKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080743-A AS CHEMICAL INTERMEIDATES FOR PREPARING DRUGS NOVARTIS AG (CH) 2000-06-27 US disclosed
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP disclosed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 WO disclosed