SCHEMBL11647890

SCHEMBL11647890

CCCCON(C)S(=O)(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ WDR5 P61964 1/20 0.46
▸ PLA2G4B P0C869 1/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NR1H4 Q96RI1 3/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ S1PR3 Q99500 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KAT6A Q92794 1/20 0.44

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
SCHEMBL3938764 0.79 SMN1; SMN2 (0.53) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL18767163 0.77 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL8241614 0.76 ALDH1A1 (0.55) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL29399627 0.76 MEN1 (0.65) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL35185 0.76 MEN1 (0.65) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL8092422 0.75 CA9 (0.68) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL1421294 0.75 SMN1; SMN2 (0.68) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
Trimethylammonium SCHEMBL4399445 0.74 KMT2A (0.50) ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL11311538 0.74 CYP2C19 (0.49) ALDH1A1LMNAKMT2A
Isophthalic Acid SCHEMBL21683231 0.73 KMT2A (0.58) PLA2G4BKMT2ANR1H4PTPN11

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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