SCHEMBL9044260

SCHEMBL9044260

CCOC(=O)Nc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 8/20 0.57
HPGD P15428 3/20 0.56
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
HTT P42858 3/20 0.52
NPSR1 Q6W5P4 3/20 0.52
CYP2C19 P33261 3/20 0.51
CYP1A2 P05177 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP2C9 P11712 2/20 0.51
MAPT P10636 1/20 0.51
GAA P10253 2/20 0.50
TP53 P04637 2/20 0.50
LMNA P02545 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ADORA2B P29275 1/20 0.50
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49

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
SCHEMBL10489819 0.86 KMT2A (0.63) KMT2AMEN1ALDH1A1HPGDNPC1
SCHEMBL19805148 0.83 MEN1 (0.68) KMT2AMEN1ALDH1A1HPGDNPC1
SCHEMBL31126834 0.83 KDM4E (0.68) KMT2AMEN1ALDH1A1HPGDHTT
SCHEMBL2860044 0.83 KDM4E (0.68) KMT2AMEN1ALDH1A1HPGDHTT
SCHEMBL28401182 0.82 ALDH1A1 (0.72) KMT2AMEN1ALDH1A1HPGDNPC1
SCHEMBL4474267 0.81 CYP1A2 (0.74) KMT2AMEN1ALDH1A1HPGDHTT
SCHEMBL11421007 0.81 MEN1 (0.62) KMT2AMEN1ALDH1A1HPGDNPC1
SCHEMBL10807728 0.81 MEN1 (0.62) KMT2AMEN1ALDH1A1HPGDNPC1
SCHEMBL9493549 0.81 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1HPGDNPC1
SCHEMBL6655128 0.80 MAPK13 (0.57) KMT2AMEN1ALDH1A1HPGDNPC1

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-0640088-B1 NOVEL TRICYCLIC THIAZOLO AND THIAZINO DERIVATIVES AND ANTI-VIRAL MEDICAMENTS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1996-10-09 EP disclosed
EP-0640087-A1 USE OF TRICYCLIC PYRIMIDINE DERIVATIVES AS ANTI-VIRAL MEDICAMENTS Roche Diagnostics GmbH (DE) 1995-03-01 EP disclosed
EP-0640088-A1 NOVEL TRICYCLIC THIAZOLO AND THIAZINO DERIVATIVES AND ANTI-VIRAL MEDICAMENTS CONTAINING THEM. BOEHRINGER MANNHEIM GMBH (DE) 1995-03-01 EP disclosed
WO-1993023407-A1 NOVEL TRICYCLIC THIAZOLO AND THIAZINO DERIVATIVES AND ANTI-VIRAL MEDICAMENTS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1993-11-25 WO disclosed
WO-1993023405-A1 USE OF TRICYCLIC PYRIMIDINE DERIVATIVES AS ANTI-VIRAL MEDICAMENTS BOEHRINGER MANNHEIM GMBH (DE) 1993-11-25 WO disclosed