SCHEMBL12696987

SCHEMBL12696987

CBCc1ccc(C(C)(C)NS(=O)(=O)c2cccc(OCC3CC3)c2)cn1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 12/20 0.69
▸ NAMPT P43490 1/20 0.38
▸ ACACA Q13085 1/20 0.37
▸ TLR4 O00206 1/20 0.35
▸ TLR2 O60603 1/20 0.35
▸ KAT6A Q92794 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ HTR7 P34969 1/20 0.34

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
SCHEMBL1409688 0.90 DUT (0.69) DUTNAMPTACACAKAT6AHTR1A
SCHEMBL27806918 0.89 DUT (0.67) DUTNAMPTACACAKAT6AHTR1A
SCHEMBL21536721 0.83 DUT (0.71) DUTNAMPT
SCHEMBL1409524 0.82 DUT (1.00) DUT
SCHEMBL12629878 0.80 DUT (0.77) DUT
SCHEMBL1409352 0.80 DUT (0.67) DUTNAMPTKAT6AHTR1AHTR7
SCHEMBL27827503 0.78 DUT (0.65) DUTNAMPTKAT6A
SCHEMBL12630200 0.76 DUT (0.56) DUTKAT6A
SCHEMBL21536674 0.75 DUT (0.60) DUTNAMPT
SCHEMBL12630857 0.74 DUT (0.55) DUTKAT6A

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
EP-2295414-B1 URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2012-09-26 — — EP disclosed
Send feedback