SCHEMBL11543455

SCHEMBL11543455

NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCCC2)c1Sc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.60
▸ HSD17B10 Q99714 3/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ HPGD P15428 2/20 0.60
▸ USP2 O75604 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ SLC6A4 P31645 1/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ GAA P10253 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ERAP1 Q9NZ08 2/20 0.42
▸ ERAP2 Q6P179 1/20 0.42
▸ MMP2 P08253 1/20 0.40
▸ CA2 P00918 4/20 0.39
▸ CA7 P43166 4/20 0.39
▸ CA13 Q8N1Q1 4/20 0.39
▸ CA12 O43570 3/20 0.39

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
SCHEMBL10281400 0.99 KDM4E (0.61) KDM4EHSD17B10ALDH1A1HPGDUSP2
SCHEMBL11547152 0.89 KDM4E (0.53) KDM4EHSD17B10ALDH1A1HPGDUSP2
SCHEMBL11542663 0.89 KDM4E (0.53) KDM4EHSD17B10ALDH1A1HPGDUSP2
SCHEMBL11717700 0.88 KDM4E (0.49) KDM4EHSD17B10ALDH1A1HPGDUSP2
SCHEMBL10281398 0.87 ALDH1A1 (0.51) KDM4EHSD17B10ALDH1A1HPGDUSP2
SCHEMBL11540420 0.83 ALDH1A1 (0.47) KDM4EHSD17B10ALDH1A1HPGDUSP2
SCHEMBL11543459 0.80 KDM4E (0.64) KDM4EHSD17B10ALDH1A1HPGDUSP2
SCHEMBL11002101 0.80 KDM4E (0.43) KDM4EHSD17B10ALDH1A1HPGDUSP2
SCHEMBL11541086 0.80 KDM4E (0.71) KDM4EHSD17B10ALDH1A1HPGDUSP2
SCHEMBL11545473 0.79 KDM4E (0.63) KDM4EHSD17B10ALDH1A1HPGDUSP2

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 4 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
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