SCHEMBL11540420

SCHEMBL11540420

CC1CCN(c2cc(C(=O)O)cc(S(N)(=O)=O)c2Sc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ USP2 O75604 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ GAA P10253 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ NR4A1 P22736 1/20 0.41
▸ CA2 P00918 7/20 0.37
▸ CA7 P43166 6/20 0.37
▸ CA12 O43570 5/20 0.37
▸ CA9 Q16790 5/20 0.37
▸ CA14 Q9ULX7 5/20 0.37
▸ CA13 Q8N1Q1 4/20 0.37
▸ CA4 P22748 3/20 0.37
▸ CA6 P23280 3/20 0.37
▸ CA5B Q9Y2D0 3/20 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
SCHEMBL11547525 0.92 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL11545420 0.91 KDM4E (0.40) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL10281400 0.84 KDM4E (0.61) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL11002101 0.83 KDM4E (0.43) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL11543455 0.83 KDM4E (0.60) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL11543553 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL11543896 0.80 ALDH1A1 (0.73) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL11544955 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL11542637 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL11543359 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10USP2LMNA

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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