SCHEMBL28022948

SCHEMBL28022948

O=C(O)N1CCCC(S(=O)(=O)c2ccc(Br)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
F10 P00742 1/20 0.42
GHSR Q92847 1/20 0.41
NAMPT P43490 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRNA7 P36544 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.38
EPHX2 P34913 1/20 0.38
MAPT P10636 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4107931 0.86 MAPT (0.50) POLBKMT2AALDH1A1EPHX2MAPT
SCHEMBL28022376 0.85 CA2 (0.42) POLBGHSRCA12CA1CA2
SCHEMBL2634144 0.82 SPR (0.44) POLBGHSRCA12CA1CA2
SCHEMBL23245656 0.82 MAPT (0.46) POLBKMT2AALDH1A1EPHX2MAPT
SCHEMBL21412280 0.82 MAPT (0.46) POLBKMT2AALDH1A1EPHX2MAPT
SCHEMBL14916026 0.81 FPR2 (0.48) NAMPTCHRNA7
SCHEMBL28159864 0.81 POLB (0.50) POLBF10MEN1KMT2AALDH1A1
SCHEMBL21412278 0.80 AKR1C3 (0.41) GHSRNAMPTKMT2AMAPTGAA
SCHEMBL23245846 0.80 AKR1C3 (0.41) GHSRNAMPTKMT2AMAPTGAA
SCHEMBL25286183 0.80 HPGD (0.54) POLBMEN1KMT2AHPGDALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105102449-B Antiviral compound 豪夫迈·罗氏有限公司 2017-06-13 CN disclosed
CN-105102449-A Antiviral compounds HOFFMANN LA ROCHE 2015-11-25 CN disclosed