SCHEMBL11544486

SCHEMBL11544486

Cc1ccc(Cc2c(N3CCC(C)C3)cc(C(=O)O)cc2S(N)(=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ USP2 O75604 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ POLB P06746 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ NR4A1 P22736 1/20 0.39
▸ KMT2A Q03164 4/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35

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
SCHEMBL11543847 0.92 KDM4E (0.42) ALDH1A1HSD17B10KDM4EUSP2HPGD
SCHEMBL11548139 0.92 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EUSP2HPGD
SCHEMBL11543283 0.91 KDM4E (0.40) ALDH1A1HSD17B10KDM4EUSP2HPGD
SCHEMBL11546423 0.90 HPGD (0.43) ALDH1A1HSD17B10KDM4EUSP2HPGD
SCHEMBL11541774 0.86 KDM4E (0.53) ALDH1A1HSD17B10KDM4EUSP2HPGD
SCHEMBL11547756 0.83 ALDH1A1 (0.41) ALDH1A1HSD17B10KDM4EUSP2HPGD
SCHEMBL11541453 0.81 ALDH1A1 (0.61) ALDH1A1HSD17B10KDM4EUSP2HPGD
SCHEMBL11542637 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4EUSP2HPGD
SCHEMBL11547525 0.80 ALDH1A1 (0.41) ALDH1A1HSD17B10KDM4EUSP2HPGD
SCHEMBL11548825 0.79 ALDH1A1 (0.45) ALDH1A1HSD17B10KDM4EUSP2HPGD

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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