SCHEMBL11512332

SCHEMBL11512332

COC(=O)c1cc(N)c(Sc2ccccc2)c(S(=O)(=O)N=CN(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ HPGD P15428 6/20 0.42
▸ GAA P10253 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ MAPT P10636 5/20 0.38
▸ LMNA P02545 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ EIF4H Q15056 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TUBB4A P04350 2/20 0.35
▸ TUBB P07437 2/20 0.35
▸ TUBA3C P0DPH7 2/20 0.35
▸ TUBA1B P68363 2/20 0.35
▸ TUBA4A P68366 2/20 0.35
▸ TUBB4B P68371 2/20 0.35

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
SCHEMBL22922726 1.00 KDM4E (0.42) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL11512796 0.91 ALDH1A1 (0.49) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL21436644 0.86 KDM4E (0.38) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL21436642 0.86 KDM4E (0.38) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL21437398 0.84 MAPT (0.43) ALDH1A1HPGDGAAMAPTLMNA
SCHEMBL11543240 0.84 MAPT (0.43) ALDH1A1HPGDGAAMAPTLMNA
SCHEMBL21436509 0.83 CA1 (0.39) KDM4EALDH1A1HPGDLMNAL3MBTL1
SCHEMBL21436508 0.83 CA1 (0.39) KDM4EALDH1A1HPGDLMNAL3MBTL1
SCHEMBL11542990 0.83 ERAP1 (0.37) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL574218 0.82 HPGD (0.45) KDM4EALDH1A1HPGDGAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112969692-A Bumetanide derivatives for the treatment of hyperhidrosis 兹伦汀公司 2021-06-15 — — CN disclosed
EP-3774763-A1 BUMETANIDE DERIVATIVES FOR THE THERAPY OF HYPERHIDROSIS ZILENTIN AG (CH) 2021-02-17 — — EP disclosed
WO-2019193159-A1 BUMETANIDE DERIVATIVES FOR THE THERAPY OF HYPERHIDROSIS Universität Wien (AT) 2019-10-10 — — WO disclosed
US-4172142-A DIURETICS FOR TREATMENT OF EDEMA HOECHST AKTIENGESELLSCHAFT (DE) 1979-10-23 — — US disclosed
US-4161531-A Diuretic and saluretic 5-sulfamoylbenzoic acid derivatives carrying a heterocyclic substituent HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-17 — — US disclosed
US-4118397-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 — — US disclosed
US-4111953-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1978-09-05 — — US disclosed
US-4093735-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-06 — — US disclosed
US-4010273-A DIURETICS, SALURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-01 — — US disclosed
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