SCHEMBL12630219

SCHEMBL12630219

C[C@@H](NS(=O)(=O)c1ccc(CBr)cc1)c1cccc(OCC(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 7/20 0.66
▸ LOXL2 Q9Y4K0 3/20 0.41
▸ AOC3 Q16853 2/20 0.41
▸ ADAMTS4 O75173 4/20 0.41
▸ CA2 P00918 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL12630227 0.83 DUT (0.67) DUT
SCHEMBL12630213 0.79 DUT (0.67) DUT
SCHEMBL12630248 0.79 DUT (0.76) DUTLMNA
SCHEMBL12630552 0.74 DUT (0.64) DUT
SCHEMBL12630519 0.74 DUT (0.66) DUTALDH1A1MEN1KMT2APOLB
SCHEMBL15247629 0.73 DUT (0.48) DUTTSHR
SCHEMBL21690775 0.72 DUT (0.62) DUT
SCHEMBL12630555 0.72 DUT (0.62) DUT
SCHEMBL21691000 0.72 DUT (0.69) DUT
SCHEMBL12630554 0.71 DUT (0.67) DUT

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-2011065545-A1 5-FLUOROURACIL COMPOUND HAVING dUTPase-INHIBITING ACTIVITY OR SALT THEREOF 大鵬薬品工業株式会社 (JP) 2011-06-03 — — WO disclosed
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