SCHEMBL12630213

SCHEMBL12630213

C[C@@H](NS(=O)(=O)c1ccc(CBr)cc1)c1cccc(OC2CCCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 14/20 0.67
▸ CNR2 P34972 1/20 0.44
▸ KAT6A Q92794 1/20 0.42
▸ KCNA5 P22460 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ ACACB O00763 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) DUTACACB
SCHEMBL12629740 0.79 DUT (0.75) DUT
SCHEMBL12630219 0.79 DUT (0.66) DUT
SCHEMBL22751583 0.79 DUT (0.56) DUTCNR2ACACB
SCHEMBL21315518 0.75 DUT (0.66) DUT
SCHEMBL21315519 0.75 DUT (0.66) DUT
SCHEMBL21315516 0.75 DUT (0.66) DUT
SCHEMBL12630551 0.75 DUT (0.66) DUT
SCHEMBL12630553 0.74 DUT (0.67) DUT
SCHEMBL21690773 0.74 DUT (0.64) 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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