SCHEMBL6901379

SCHEMBL6901379

Nc1cc(N)c(N)c(C=O)c1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ERN1 O75460 2/20 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
SCHEMBL28068239 0.87 TDP1 (0.36) MEN1KMT2ATDP1LMNATHRB
SCHEMBL9218249 0.78 LMNA (0.31) MEN1KMT2ATDP1LMNATHRB
SCHEMBL27819554 0.76 ERN1 (0.46) LMNATHRBMAPTERN1
SCHEMBL12239270 0.71 ERN1 (0.33) ERN1
SCHEMBL4284421 0.71 CYP3A4 (0.44) MEN1KMT2ATDP1THRBALDH1A1
SCHEMBL3027694 0.70 TDP1 (0.33) MEN1KMT2ATDP1ALDH1A1CYP3A4
SCHEMBL135290 0.70 TDP1 (0.40) MEN1KMT2ATDP1LMNATHRB
SCHEMBL2334691 0.70 CASP1 (0.42) MEN1KMT2ATDP1LMNATHRB
SCHEMBL8024070 0.69 TDP1 (0.40) MEN1KMT2ATDP1LMNATHRB
SCHEMBL28387342 0.69 TDP1 (0.35) MEN1KMT2ATDP1LMNATHRB

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-1390336-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2004-02-25 EP claimed
WO-2002096849-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2002-12-05 WO claimed
EP-1390336-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2004-02-25 EP disclosed
WO-2002096849-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2002-12-05 WO disclosed