SCHEMBL11542663

SCHEMBL11542663

Cc1ccc(Sc2c(N3CCCC3)cc(C(=O)O)cc2S(N)(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ LMNA P02545 3/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ SLC6A4 P31645 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ GAA P10253 4/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ERAP1 Q9NZ08 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ POLB P06746 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MMP2 P08253 1/20 0.38
▸ SLC9A1 P19634 1/20 0.37
▸ ERAP2 Q6P179 1/20 0.37
▸ TSHR P16473 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
SCHEMBL10281400 0.90 KDM4E (0.61) KDM4EALDH1A1LMNAHSD17B10HPGD
SCHEMBL11547152 0.89 KDM4E (0.53) KDM4EALDH1A1LMNAHSD17B10HPGD
SCHEMBL11543455 0.89 KDM4E (0.60) KDM4EALDH1A1LMNAHSD17B10HPGD
SCHEMBL11547525 0.86 ALDH1A1 (0.41) KDM4EALDH1A1LMNAHSD17B10HPGD
SCHEMBL10281398 0.81 ALDH1A1 (0.51) KDM4EALDH1A1LMNAHSD17B10HPGD
SCHEMBL11543081 0.80 KDM4E (0.55) KDM4EALDH1A1LMNAHSD17B10HPGD
SCHEMBL11717700 0.78 KDM4E (0.49) KDM4EALDH1A1LMNAHSD17B10HPGD
SCHEMBL11545046 0.78 KDM4E (0.64) KDM4EALDH1A1LMNAHSD17B10HPGD
SCHEMBL11541394 0.78 KDM4E (0.81) KDM4EALDH1A1LMNAHSD17B10HPGD
SCHEMBL11511867 0.78 KDM4E (0.53) KDM4EALDH1A1LMNAHSD17B10HPGD

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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