SCHEMBL6653028

SCHEMBL6653028

O=[N+]([O-])c1cccc(-c2csc(-c3cnccc3C3CC3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
EIF4E P06730 1/20 0.47
MAOA P21397 9/20 0.47
MAOB P27338 9/20 0.47
CSNK2A1 P68400 1/20 0.47
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
VCP P55072 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL6649515 0.96 MAPT (0.51) MAPTEIF4EMAOAMAOBCSNK2A1
SCHEMBL6648546 0.81 MAOA (0.52) MAPTEIF4EMAOAMAOBCSNK2A1
SCHEMBL6646928 0.80 MAPT (0.48) MAPTEIF4EMAOAMAOBCSNK2A1
SCHEMBL6804280 0.80 CYP19A1 (0.68) MAPTRAB9AALDH1A1GAANPC1
SCHEMBL7253741 0.80 KDM4E (0.44) MAPTRAB9AGAANPC1LMNA
SCHEMBL6646934 0.79 MAOA (0.50) MAPTEIF4EMAOAMAOBCSNK2A1
Bromide SCHEMBL7079674 0.79 CYP19A1 (0.66) MAPTRAB9AALDH1A1MEN1GAA
SCHEMBL6654412 0.79 KDM4E (0.55) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL6651017 0.78 C1S (0.47) MAPTEIF4EALDH1A1MEN1KMT2A
SCHEMBL6649421 0.78 KDM4E (0.50) MAPTRAB9AALDH1A1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432706-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
WO-2003027085-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed