SCHEMBL11627347

SCHEMBL11627347

CCCCOc1ccc(S(=O)(=O)Oc2ccc(N)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.52
▸ CA12 O43570 5/20 0.49
▸ CA1 P00915 5/20 0.49
▸ CA2 P00918 5/20 0.49
▸ CA9 Q16790 5/20 0.49
▸ CA7 P43166 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ TDP1 Q9NUW8 3/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PLA2G4B P0C869 1/20 0.43

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
SCHEMBL11624208 0.95 MAPT (0.59) MAPTCA12CA1CA2CA9
SCHEMBL11448951 0.93 MAPT (0.52) MAPTCA12CA1CA2CA9
SCHEMBL11448846 0.88 MAPT (0.59) MAPTCA12CA1CA2CA9
SCHEMBL9651479 0.86 MAPT (0.68) MAPTCA12CA1CA2CA9
SCHEMBL10740092 0.85 ALPL (0.47) MAPTCA2TSHRTDP1MAPK1
SCHEMBL10732476 0.85 ALDH1A1 (0.47) MAPTCA2TSHRTDP1MAPK1
SCHEMBL11844829 0.84 CA12 (0.56) MAPTCA12CA1CA2CA9
SCHEMBL11622460 0.84 ALDH1A1 (0.44) MAPTTSHRTDP1MAPK1GAA
SCHEMBL11663270 0.83 TDP1 (0.54) MAPTTSHRTDP1MAPK1GAA
SCHEMBL11211591 0.83 MAPT (0.58) MAPTCA12CA1CA2CA9

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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