SCHEMBL11540706

SCHEMBL11540706

NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ USP2 O75604 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ SLC6A4 P31645 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ ERAP1 Q9NZ08 8/20 0.47
▸ GAA P10253 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ERAP2 Q6P179 2/20 0.42
▸ MMP2 P08253 1/20 0.41
▸ TTR P02766 1/20 0.39
▸ SLC9A1 P19634 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ PKM P14618 1/20 0.37

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
SCHEMBL11542877 0.99 KDM4E (0.57) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11542507 0.86 KDM4E (0.58) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11542690 0.84 ALDH1A1 (0.46) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11548776 0.82 KDM4E (0.62) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11541751 0.81 KDM4E (0.60) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11545046 0.81 KDM4E (0.64) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11544668 0.78 KDM4E (0.77) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11547136 0.76 KDM4E (0.65) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL9436740 0.76 KDM4E (0.64) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11542677 0.76 ALDH1A1 (0.76) KDM4EHSD17B10USP2ALDH1A1LMNA

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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