SCHEMBL28047457

SCHEMBL28047457

CNc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.67
▸ MAPK1 P28482 4/20 0.67
▸ GAA P10253 2/20 0.67
▸ ALDH1A1 P00352 5/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ MAPT P10636 2/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CA12 O43570 4/20 0.58
▸ CA1 P00915 4/20 0.58
▸ CA2 P00918 4/20 0.58
▸ CA9 Q16790 3/20 0.58
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ CES1 P23141 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ HTR6 P50406 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL28047475 0.92 ALDH1A1 (0.63) LMNAMAPK1GAAALDH1A1MAPT
SCHEMBL1488032 0.88 ALDH1A1 (0.68) LMNAMAPK1GAAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL1530551 0.86 ALDH1A1 (0.65) LMNAMAPK1GAAALDH1A1SMN1; SMN2
SCHEMBL8338495 0.85 KMT2A (0.78) GAAALDH1A1MAPTCA12CA1
SCHEMBL27787880 0.83 HTR6 (0.77) ALDH1A1MAPTCA12CA1CA2
SCHEMBL27875519 0.83 ITGA1 (0.58) LMNAMAPK1GAAALDH1A1MAPT
SCHEMBL27516685 0.83 CA1 (0.71) LMNAMAPK1GAAALDH1A1SMN1; SMN2
SCHEMBL21254711 0.82 KIF11 (0.68) LMNAALDH1A1SMN1; SMN2MAPTCYP2C9
SCHEMBL14414968 0.80 LMNA (0.61) LMNAMAPK1GAAALDH1A1SMN1; SMN2
SCHEMBL27787716 0.79 CYP2C9 (0.51) LMNAMAPK1GAAALDH1A1MAPT

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
CN-102746239-B Uracil or thymine derivatives for the treatment of hepatitis C ABBVIE INC. (BS) 2016-02-10 — — CN disclosed
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