SCHEMBL11545334

SCHEMBL11545334

CN(c1ccccc1)c1c(N2CCCC2)cc(C(=O)O)cc1S(N)(=O)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.60
▸ HSD17B10 Q99714 4/20 0.60
▸ LMNA P02545 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ HPGD P15428 2/20 0.60
▸ USP2 O75604 1/20 0.60
▸ SLC6A4 P31645 1/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ ERAP1 Q9NZ08 3/20 0.42
▸ ERAP2 Q6P179 1/20 0.42
▸ GAA P10253 4/20 0.40
▸ POLB P06746 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SLC9A1 P19634 1/20 0.38

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
SCHEMBL11543471 0.99 KDM4E (0.59) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL11543359 0.85 ALDH1A1 (0.47) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL11547136 0.78 KDM4E (0.65) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL11545046 0.77 KDM4E (0.64) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL11547078 0.77 KDM4E (0.64) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL11543459 0.77 KDM4E (0.64) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL11545473 0.76 KDM4E (0.63) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL11548776 0.76 KDM4E (0.62) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL10281400 0.75 KDM4E (0.61) KDM4EHSD17B10LMNAALDH1A1HPGD
Piretanide SCHEMBL49473 0.75 KDM4E (1.00) KDM4EHSD17B10LMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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