SCHEMBL6651612

SCHEMBL6651612

CC(C)(C)c1ccncc1-c1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
C1S P09871 1/20 0.54
EIF4E P06730 12/20 0.45
MAPT P10636 3/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
DHFR P00374 1/20 0.41

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
SCHEMBL6651418 0.86 C1S (0.54) C1SEIF4EMAPTTHRBMEN1
SCHEMBL6648869 0.85 EIF4E (0.55) EIF4EMEN1KMT2A
SCHEMBL6649196 0.84 C1S (0.55) C1SEIF4EMAPTTHRBMEN1
SCHEMBL6647010 0.82 EIF4E (0.46) EIF4E
SCHEMBL6651017 0.79 C1S (0.47) C1SEIF4EMAPTMEN1ALDH1A1
SCHEMBL6355125 0.74 C1S (0.53) C1SEIF4EMAPTTHRBMEN1
SCHEMBL6924874 0.73 C1S (0.60) C1SEIF4EMAPTTHRBMEN1
SCHEMBL1447033 0.73 EIF4E (0.46) C1SEIF4EMAPTTHRB
SCHEMBL8357836 0.72 MAPT (0.59) C1SEIF4EMAPTMEN1ALDH1A1
SCHEMBL6199744 0.72 EIF4E (0.55) C1SEIF4EMAPTTHRBMEN1

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