SCHEMBL11624208

SCHEMBL11624208

CCCOc1ccc(S(=O)(=O)Oc2ccc(N)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.59
▸ CA12 O43570 2/20 0.49
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA7 P43166 2/20 0.49
▸ CA9 Q16790 2/20 0.49
▸ TDP1 Q9NUW8 4/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ TSHR P16473 2/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42

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
SCHEMBL11627347 0.95 MAPT (0.52) MAPTCA12CA1CA2CA7
SCHEMBL11448846 0.93 MAPT (0.59) MAPTCA12CA1CA2CA7
SCHEMBL11448951 0.88 MAPT (0.52) MAPTCA12CA1CA2CA7
SCHEMBL1277976 0.86 MAPT (0.78) MAPTCA12CA1CA2CA7
SCHEMBL10740092 0.85 ALPL (0.47) MAPTCA2TDP1GAAMAPK1
SCHEMBL10732476 0.85 ALDH1A1 (0.47) MAPTCA2TDP1GAAMAPK1
SCHEMBL11848703 0.84 CA1 (0.56) MAPTCA12CA1CA2CA7
SCHEMBL11622460 0.84 ALDH1A1 (0.44) MAPTTDP1GAAMAPK1L3MBTL1
SCHEMBL11663270 0.83 TDP1 (0.54) MAPTTDP1GAAMAPK1L3MBTL1
SCHEMBL11628716 0.83 TSHR (0.58) MAPTTDP1L3MBTL1ALDH1A1MEN1

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
US-4069325-A 3-Carbalkoxyamino-1H-2,1,4-benzothiadiazine derivatives HOECHST AKTIENGESELLSCHAFT (DT) 1978-01-17 — — US disclosed
US-3996368-A Anthelmintically active 2-carbalkoxyamino-5(6)-phenyl sulfonyloxy benzimidazoles HOECHST AKTIENGESELLSCHAFT (DT) 1976-12-07 — — US disclosed
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