SCHEMBL8904356

SCHEMBL8904356

NC1CNc2ccccc2SC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.39
MAPT P10636 6/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALOX15 P16050 2/20 0.39
NOX1 Q9Y5S8 2/20 0.39
CYP1A2 P05177 1/20 0.39
BCHE P06276 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ALOX12 P18054 1/20 0.39
MAOA P21397 1/20 0.39
CNR1 P21554 1/20 0.39
ACHE P22303 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
PTGS2 P35354 1/20 0.39
SNCA P37840 1/20 0.39

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
SCHEMBL6308518 0.69 CREBBP (0.44) GAAMAPTMEN1KMT2AALOX15
SCHEMBL12345838 0.69 CREBBP (0.44) GAAMAPTMEN1KMT2AALOX15
SCHEMBL6783782 0.69 ANPEP (0.47) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8556056 0.68 GAA (0.46) GAAMAPTMEN1KMT2AALOX15
Hydrochloric Acid SCHEMBL2235061 0.68 CREBBP (0.43) GAAMAPTMEN1KMT2AALOX15
Hydrochloric Acid SCHEMBL2235068 0.68 CREBBP (0.43) GAAMAPTMEN1KMT2AALOX15
SCHEMBL129351 0.67 HTR2A (0.37) GAAMEN1KMT2ASLC6A2SLC6A3
SCHEMBL4203755 0.66 ALDH1A1 (0.31) MAPTALDH1A1
SCHEMBL4203753 0.66 ALDH1A1 (0.31) MAPTALDH1A1
SCHEMBL2578087 0.64 HSD17B10 (0.38) GAAMAPTMEN1KMT2AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5618808-A Benzothiazepine and benzoxazepine derivatives as cholecystokinin receptor antagonists PFIZER, INC. (US) 1997-04-08 US disclosed