SCHEMBL13619651

SCHEMBL13619651

CN1Cc2ccccc2C[C@H]1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.43
HTR7 P34969 14/20 0.43
NOTUM Q6P988 1/20 0.43
ACE P12821 2/20 0.43
HTR2A P28223 2/20 0.42
HTR6 P50406 2/20 0.42
CHEK1 O14757 1/20 0.42
JAK2 O60674 1/20 0.42
POLB P06746 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL32676817 1.00 HTR1A (0.43) HTR1AHTR7NOTUMACEHTR2A
SCHEMBL32676967 1.00 HTR1A (0.43) HTR1AHTR7NOTUMACEHTR2A
SCHEMBL32676643 1.00 HTR1A (0.43) HTR1AHTR7NOTUMACEHTR2A
SCHEMBL32676972 0.84 ACE (0.54) NOTUMACECHEK1JAK2POLB
SCHEMBL3154327 0.84 ACE (0.54) NOTUMACECHEK1JAK2POLB
SCHEMBL2092090 0.84 ACE (0.54) NOTUMACECHEK1JAK2POLB
SCHEMBL8278531 0.84 NOTUM (0.48) NOTUMACECHEK1JAK2POLB
SCHEMBL10116499 0.84 NOTUM (0.48) NOTUMACECHEK1JAK2POLB
SCHEMBL13971489 0.84 ACE (0.54) NOTUMACECHEK1JAK2POLB
SCHEMBL32676725 0.82 DPP8 (0.41) NOTUMHTR2APOLB

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
WO-2009137133-A2 5-SUBSTITUTED-2-IMINO-THIAZOLIDINONE COMPOUNDS AND THEIR USE AS INHIBITORS OF BACTERIAL INFECTION UNIVERSITY OF WASHINGTON (US) 2009-11-12 WO disclosed