SCHEMBL11545605

SCHEMBL11545605

CC1CCN(c2cc(C(=O)O)cc(S(N)(=O)=O)c2Cl)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ HSD17B10 Q99714 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ USP2 O75604 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ GAA P10253 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ NR4A1 P22736 1/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CA12 O43570 3/20 0.39
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA7 P43166 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ CA14 Q9ULX7 3/20 0.39
▸ MAPT P10636 2/20 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
SCHEMBL11542637 0.87 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10LMNAUSP2
SCHEMBL11543406 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10LMNAUSP2
SCHEMBL11542690 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10LMNAUSP2
SCHEMBL11543563 0.82 KDM4E (0.60) ALDH1A1KDM4EHSD17B10LMNAUSP2
SCHEMBL11543553 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10LMNAUSP2
SCHEMBL11543283 0.81 KDM4E (0.40) ALDH1A1KDM4EHSD17B10LMNAUSP2
SCHEMBL11545420 0.81 KDM4E (0.40) ALDH1A1KDM4EHSD17B10LMNAUSP2
SCHEMBL11541751 0.81 KDM4E (0.60) ALDH1A1KDM4EHSD17B10LMNAUSP2
SCHEMBL11544955 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10LMNAUSP2
SCHEMBL11543896 0.80 ALDH1A1 (0.73) ALDH1A1KDM4EHSD17B10LMNAUSP2

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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