SCHEMBL6649196

SCHEMBL6649196

CCc1ccncc1-c1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C1S P09871 1/20 0.55
EIF4E P06730 10/20 0.46
MAPT P10636 4/20 0.45
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
THRB P10828 1/20 0.42

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 0.87 C1S (0.54) C1SEIF4EMAPTMEN1KMT2A
SCHEMBL6648675 0.86 EIF4E (0.58) EIF4EMEN1KMT2ANPC1RAB9A
SCHEMBL6651612 0.84 C1S (0.54) C1SEIF4EMAPTMEN1KMT2A
SCHEMBL6648546 0.81 MAOA (0.52) EIF4EMAPTMEN1KMT2AALDH1A1
SCHEMBL6651017 0.80 C1S (0.47) C1SEIF4EMAPTMEN1KMT2A
SCHEMBL6646406 0.80 KDM4E (0.61) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL6646768 0.78 CYP19A1 (0.56) EIF4EMAPTMEN1KMT2AALDH1A1
SCHEMBL6646510 0.77 CDC25A (0.56) C1SMAPTMEN1KMT2AALDH1A1
SCHEMBL6649219 0.77 EIF4E (0.44) EIF4ENPC1
SCHEMBL6628863 0.76 CYP19A1 (0.48) MEN1KMT2AALDH1A1NPC1LMNA

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