SCHEMBL7676722

SCHEMBL7676722

NC(=O)C(Br)c1cc(F)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.49
CES1 P23141 4/20 0.49
PSEN1 P49768 5/20 0.41
PSEN2 P49810 5/20 0.41
APH1B Q8WW43 5/20 0.41
NCSTN Q92542 5/20 0.41
APH1A Q96BI3 5/20 0.41
PSENEN Q9NZ42 5/20 0.41
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
PARP1 P09874 1/20 0.36
KEAP1 Q14145 1/20 0.35
KCNN4 O15554 1/20 0.35

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
SCHEMBL7471753 0.85 CES2 (0.49) CES2CES1PARP1KEAP1KCNN4
SCHEMBL7466460 0.83 CES2 (0.50) CES2CES1PSEN1PSEN2APH1B
SCHEMBL7474529 0.79 DGAT1 (0.33) CES2CES1
SCHEMBL6896203 0.77 CES2 (0.45) CES2CES1PSEN1PSEN2APH1B
SCHEMBL7470109 0.77 GAA (0.49) CES2CES1KCNN4
SCHEMBL3736079 0.76 CES2 (0.44) CES2CES1PSEN1PSEN2APH1B
SCHEMBL7682173 0.76 CES2 (0.47) CES2CES1CA9
SCHEMBL9311000 0.75 CES2 (0.43) CES2CES1PSEN1PSEN2APH1B
SCHEMBL383806 0.73 CES2 (0.46) CES2CES1PSEN1PSEN2APH1B
SCHEMBL11086841 0.73 CES2 (0.47) CES2CES1PSEN1PSEN2APH1B

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-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed