SCHEMBL8630378

SCHEMBL8630378

Cc1ccc(CC(=O)O)c2c1N(C)c1cccc(C=NO)c1S2

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.34
USP2 O75604 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL8635785 0.88 SRC (0.44) SRCPTGS2
Hydrochloric Acid SCHEMBL8629088 0.79 PTGS2 (0.34) SRCPTGS2
SCHEMBL8632829 0.77 SRC (0.31) SRC
SCHEMBL8630374 0.75 USP2 (0.34) USP2
SCHEMBL8630372 0.75 USP2 (0.34) USP2
SCHEMBL7398260 0.67 AKR1B1 (0.38) PTGS2
SCHEMBL7392981 0.65 KCNA5 (0.41)
SCHEMBL8338530 0.65 AKR1B1 (0.52) SRCUSP2
SCHEMBL9016481 0.65 AKR1B1 (0.52) SRCUSP2
SCHEMBL9016478 0.65 AKR1B1 (0.52) SRCUSP2

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
US-5811548-A USEFUL AS RESEARCH TOOLS IN THE DETERMINATION OF BIOLOGICALLY ACTIVE PEPTIDE SEQUENCES HOFFMANN-LA ROCHE INC. (US) 1998-09-22 US disclosed
US-5811389-A INHIBITING PLATELET AGGREGATION; BLOOD DISORDERS HOFFMANN-LA ROCHE INC. (US) 1998-09-22 US disclosed