SCHEMBL11544757

SCHEMBL11544757

COC(=O)c1cc(N2CCCC2)c(Oc2ccc(Cl)cc2)c(S(N)(=O)=O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
KDM4E B2RXH2 3/20 0.64
LMNA P02545 2/20 0.64
USP2 O75604 1/20 0.64
HPGD P15428 1/20 0.64
SLC6A4 P31645 1/20 0.64
HIF1A Q16665 1/20 0.64
HSD17B10 Q99714 1/20 0.64
L3MBTL1 Q9Y468 2/20 0.45
NPSR1 Q6W5P4 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR119 Q8TDV5 2/20 0.41
MMP2 P08253 1/20 0.41
KMT2A Q03164 3/20 0.40
TSHR P16473 1/20 0.39
MAPT P10636 4/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL11545620 0.92 KDM4E (0.66) ALDH1A1KDM4ELMNAUSP2HPGD
SCHEMBL11544114 0.91 ALDH1A1 (0.65) ALDH1A1KDM4ELMNAUSP2HPGD
SCHEMBL230185 0.89 ALDH1A1 (0.80) ALDH1A1KDM4ELMNAUSP2HPGD
SCHEMBL11543232 0.88 KDM4E (0.81) ALDH1A1KDM4ELMNAUSP2HPGD
SCHEMBL11543830 0.87 KDM4E (0.80) ALDH1A1KDM4ELMNAUSP2HPGD
SCHEMBL11547115 0.85 KDM4E (0.60) ALDH1A1KDM4ELMNAUSP2HPGD
SCHEMBL11544617 0.84 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAUSP2HPGD
SCHEMBL11542529 0.82 LMNA (0.81) ALDH1A1KDM4ELMNAUSP2HPGD
SCHEMBL11544117 0.81 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAUSP2HPGD
SCHEMBL11544761 0.81 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAUSP2HPGD

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