SCHEMBL11448951

SCHEMBL11448951

CCCCOc1ccc(OS(=O)(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.52
▸ CA12 O43570 4/20 0.49
▸ CA1 P00915 4/20 0.49
▸ CA2 P00918 4/20 0.49
▸ CA9 Q16790 4/20 0.49
▸ CA7 P43166 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ PKM P14618 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ LMNA P02545 4/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PLA2G4B P0C869 1/20 0.43
▸ ALPL P05186 2/20 0.42
▸ ALPI P09923 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HPGD P15428 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
SCHEMBL11448846 0.95 MAPT (0.59) MAPTCA12CA1CA2CA9
SCHEMBL11627347 0.93 MAPT (0.52) MAPTCA12CA1CA2CA9
SCHEMBL11624208 0.88 MAPT (0.59) MAPTCA12CA1CA2CA9
SCHEMBL11450339 0.85 VCAM1 (0.59) CA12CA1CA2CA9CA7
SCHEMBL11467050 0.84 CA12 (0.56) MAPTCA12CA1CA2CA9
SCHEMBL11448446 0.84 ALDH1A1 (0.47) MAPTTSHRALDH1A1KMT2APOLB
SCHEMBL11460035 0.83 ALDH1A1 (0.54) MAPTTSHRALDH1A1KMT2APOLB
SCHEMBL10892487 0.83 TSHR (0.58) MAPTCA2TSHRALDH1A1KMT2A
SCHEMBL9651479 0.83 MAPT (0.68) MAPTCA12CA1CA2CA9
SCHEMBL11211591 0.81 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 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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