SCHEMBL12630857

SCHEMBL12630857

CC(C)(NS(=O)(=O)c1cccc(OCC(F)F)c1)c1ccc(CBr)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 10/20 0.55
▸ FBP1 P09467 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ RORA P35398 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ ALPL P05186 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ BACE1 P56817 1/20 0.33

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
SCHEMBL12630519 0.85 DUT (0.66) DUTLMNARORARORCNR1H2
SCHEMBL1409688 0.84 DUT (0.69) DUTKAT6A
SCHEMBL12630200 0.82 DUT (0.56) DUTKAT6A
SCHEMBL12629881 0.80 DUT (0.60) DUTLMNA
SCHEMBL27806918 0.77 DUT (0.67) DUTKAT6A
SCHEMBL12696987 0.74 DUT (0.69) DUTKAT6A
SCHEMBL26022939 0.71 DUT (0.50) DUT
SCHEMBL20351363 0.71 DUT (0.68) DUT
SCHEMBL1409436 0.71 DUT (0.63) DUTLMNARORARORCNR1H2
SCHEMBL18379760 0.70 DUT (0.66) 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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