SCHEMBL9480899

SCHEMBL9480899

C#CCn1c(=O)sc2cc(F)c(-n3c(=O)cc(C)[nH]c3=O)cc21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
BCAT1 P54687 6/20 0.31
PPOX P50336 1/20 0.31
BCAT2 O15382 5/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL9478218 0.85 BCAT1 (0.43) SMN1; SMN2BCAT1BCAT2
SCHEMBL9478606 0.80 PPOX (0.31) PPOXPOLBNPSR1RXFP1
SCHEMBL9711627 0.77 PPOX (0.34) SMN1; SMN2PPOXPOLBNPSR1RXFP1
SCHEMBL9476683 0.77 PPOX (0.30) PPOX
SCHEMBL9479585 0.76 PPOX (0.32) PPOX
SCHEMBL9837325 0.75 TMEM97 (0.36) PPOX
SCHEMBL9781614 0.74 TMEM97 (0.31) PPOXPOLBNPSR1RXFP1
SCHEMBL9479854 0.74 MAPT (0.35) BCAT1BCAT2
SCHEMBL9479011 0.74 ALPL (0.33) PPOXPOLB
SCHEMBL8362026 0.72 POLB (0.34) SMN1; SMN2PPOXPOLBNPSR1RXFP1

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-5232898-A Herbicides CIBA-GEIGY CORPORATION (US) 1993-08-03 US disclosed