SCHEMBL6234424

SCHEMBL6234424

O=C(On1nnc2ccccc2c1=O)C(=O)On1nnc2ccccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
HPGD P15428 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GPR139 Q6DWJ6 1/20 0.44
MAPK1 P28482 2/20 0.44
ALOX15 P16050 2/20 0.44
POLB P06746 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
SCHEMBL1561845 0.87 HPSE (0.53) HPSEMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL18493192 0.87 HPSE (0.50) HPSEMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10098857 0.84 ALDH1A1 (0.51) HPSEMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1562841 0.84 HPSE (0.60) HPSEMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5651138 0.83 HPSE (0.50) HPSEMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1562499 0.83 ALDH1A1 (0.54) HPSEALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL25734944 0.83 HPSE (0.50) HPSEMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL12678273 0.83 HPSE (0.47) HPSEMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5531874 0.81 ALDH1A1 (0.53) HPSEKMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL3072842 0.81 HPSE (0.56) HPSEMEN1KMT2AALDH1A1SMN1; SMN2

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
WO-2005007634-A1 3-HYDROXY-4-OXO-1,2,3-TRIAZINES AND DERIVATIVES THEREOF FOR AMIDE AND ESTER BOND FORMATION FRUTAROM LTD. (IL) 2005-01-27 WO disclosed
EP-1061904-A1 NANOPARTICLES, METHOD FOR PRODUCING NANOPARTICLES AND USE OF THE SAME Aventis Research & Technologies GmbH & Co KG (DE) 2000-12-27 EP disclosed
WO-1999047130-A1 NANOPARTICLES, METHOD FOR PRODUCING NANOPARTICLES AND USE OF THE SAME AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-09-23 WO disclosed