SCHEMBL11547115

SCHEMBL11547115

COC(=O)c1cc(N2CCCC2)c(Oc2cc(C)cc(C)c2)c(S(N)(=O)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
ALDH1A1 P00352 4/20 0.60
LMNA P02545 2/20 0.60
USP2 O75604 2/20 0.60
HPGD P15428 1/20 0.60
SLC6A4 P31645 1/20 0.60
HIF1A Q16665 1/20 0.60
HSD17B10 Q99714 1/20 0.60
NPSR1 Q6W5P4 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ERAP1 Q9NZ08 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ERAP2 Q6P179 2/20 0.39
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 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
SCHEMBL11544114 0.90 ALDH1A1 (0.65) KDM4EALDH1A1LMNAUSP2HPGD
SCHEMBL11541897 0.89 KDM4E (0.76) KDM4EALDH1A1LMNAUSP2HPGD
SCHEMBL11540662 0.88 KDM4E (0.74) KDM4EALDH1A1LMNAUSP2HPGD
SCHEMBL230185 0.87 ALDH1A1 (0.80) KDM4EALDH1A1LMNAUSP2HPGD
SCHEMBL11545620 0.87 KDM4E (0.66) KDM4EALDH1A1LMNAUSP2HPGD
SCHEMBL11544757 0.85 ALDH1A1 (0.64) KDM4EALDH1A1LMNAUSP2HPGD
SCHEMBL11540767 0.84 ALDH1A1 (0.41) KDM4EALDH1A1LMNAUSP2HPGD
SCHEMBL11545555 0.80 USP2 (0.45) KDM4EALDH1A1LMNAUSP2HPGD
SCHEMBL11543179 0.80 ALDH1A1 (0.60) KDM4EALDH1A1LMNAUSP2HPGD
SCHEMBL11541394 0.79 KDM4E (0.81) KDM4EALDH1A1LMNAUSP2HPGD

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