SCHEMBL11354829

SCHEMBL11354829

CCCNS(=O)(=O)c1cc(C(=O)CCC(=O)OC)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ GSTO1 P78417 3/20 0.46
▸ CYP2C19 P33261 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ POLB P06746 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ F10 P00742 1/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL11354624 0.88 CA1 (0.48) L3MBTL1GSTO1SMN1; SMN2POLBF10
SCHEMBL11348810 0.86 GSTO1 (0.44) L3MBTL1GSTO1CYP2C19CYP1A2TSHR
SCHEMBL11340154 0.85 GSTO1 (0.49) L3MBTL1GSTO1CYP2C19CYP1A2TSHR
SCHEMBL11595726 0.83 F10 (0.46) L3MBTL1GSTO1CYP2C19CYP1A2TSHR
SCHEMBL11344938 0.81 CA1 (0.54) CA12CA9
SCHEMBL11597366 0.81 GSTO1 (0.50) L3MBTL1GSTO1CYP2C19CYP1A2TSHR
SCHEMBL9436722 0.81 POLB (0.58) L3MBTL1SMN1; SMN2POLBF10PRSS1
SCHEMBL11345142 0.79 FABP4 (0.49) CYP2C19CYP1A2TSHRSMN1; SMN2TDP1
SCHEMBL5506453 0.79 FABP4 (0.49) CYP2C19CYP1A2TSHRSMN1; SMN2TDP1
SCHEMBL11339928 0.79 SMN1; SMN2 (0.53) L3MBTL1GSTO1CYP2C19CYP1A2TSHR

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
EP-0001051-B1 DERIVATIVES OF BENZENESULFONAMIDE, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1981-02-11 — — EP disclosed
US-4235918-A SALIDIURETICS, TREATMENT OF HYPERTONIC CONDITIONS HOECHST AKTIENGESELLSCHAFT (DE) 1980-11-25 — — US disclosed
EP-0001051-A2 Derivatives of benzenesulfonamide, method for their preparation and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-03-21 — — EP disclosed
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