SCHEMBL11448846

SCHEMBL11448846

CCCOc1ccc(OS(=O)(=O)c2ccc(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
▸ ALDH1A1 P00352 5/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ LMNA P02545 2/20 0.45
▸ TSHR P16473 2/20 0.43
▸ ALPL P05186 2/20 0.42
▸ ALPI P09923 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NPC1 O15118 1/20 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
SCHEMBL11448951 0.95 MAPT (0.52) MAPTCA12CA1CA2CA7
SCHEMBL11624208 0.93 MAPT (0.59) MAPTCA12CA1CA2CA7
SCHEMBL11627347 0.88 MAPT (0.52) MAPTCA12CA1CA2CA7
SCHEMBL11450274 0.85 ALPL (0.57) MAPTCA12CA1CA2CA7
SCHEMBL11458885 0.84 CA1 (0.56) MAPTCA12CA1CA2CA7
SCHEMBL11448446 0.84 ALDH1A1 (0.47) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL10892487 0.83 TSHR (0.58) MAPTCA2ALDH1A1MEN1KMT2A
SCHEMBL11460035 0.83 ALDH1A1 (0.54) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL1277976 0.83 MAPT (0.78) MAPTCA12CA1CA2CA7
SCHEMBL11448389 0.81 SMN1; SMN2 (0.60) MAPTCA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4216161-A 3,4-Diaminophenyl sulfonic acid esters HOECHST AKTIENGESELLSCHAFT (DE) 1980-08-05 — — US disclosed
US-4069325-A 3-Carbalkoxyamino-1H-2,1,4-benzothiadiazine derivatives HOECHST AKTIENGESELLSCHAFT (DT) 1978-01-17 — — US disclosed
US-3996369-A Anthelmintically active 2-carbalkoxyamino benzimidazolyl-5(6)-sulfonic acid phenyl esters HOECHST AKTIENGESELLSCHAFT (DT) 1976-12-07 — — US disclosed
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