SCHEMBL9477604

SCHEMBL9477604

C#CCN1C(=O)COc2cc(F)c(NC(=O)N/C(=C/C(=O)OCC)C(F)(F)F)cc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CHRM1 P11229 1/20 0.34
RORC P51449 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL9477612 1.00 POLB (0.35) POLBUSP2HTTL3MBTL1CHRM1
SCHEMBL9478624 0.86 HTT (0.41) POLBUSP2HTTL3MBTL1TSHR
SCHEMBL9478620 0.86 HTT (0.41) POLBUSP2HTTL3MBTL1TSHR
SCHEMBL12654920 0.82 POLB (0.38) POLBHTTCHRM1ALDH1A1TSHR
SCHEMBL9727365 0.82 POLB (0.44) POLBUSP2HTTL3MBTL1CHRM1
SCHEMBL9478444 0.80 CHRM1 (0.37) POLBUSP2HTTL3MBTL1CHRM1
SCHEMBL9478449 0.80 CHRM1 (0.37) POLBUSP2HTTL3MBTL1CHRM1
SCHEMBL7687650 0.78 CHRM1 (0.40) POLBCHRM1KDM4EMEN1KMT2A
SCHEMBL9031064 0.77 POLB (0.44) POLBHTTCHRM1KMT2ATSHR
SCHEMBL9224359 0.77 POLB (0.43) POLBHTTCHRM1TSHR

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