SCHEMBL11543992

SCHEMBL11543992

COc1ccc(Oc2c([N+](=O)[O-])cc(C(=O)O)cc2S(N)(=O)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.54
MAPT P10636 9/20 0.49
HPGD P15428 6/20 0.47
LMNA P02545 5/20 0.47
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 2/20 0.47
USP2 O75604 2/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 2/20 0.47
SLC6A4 P31645 1/20 0.47
PKM P14618 1/20 0.46
CA2 P00918 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
SLC12A2 P55011 1/20 0.46
GFER P55789 2/20 0.46
RAF1 P04049 1/20 0.44
MAPK1 P28482 1/20 0.44
PAX8 Q06710 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
SCHEMBL11547853 0.91 LMNA (0.52) TPMTMAPTHPGDLMNAALDH1A1
SCHEMBL11543280 0.90 VCAM1 (0.53) TPMTMAPTHPGDLMNAALDH1A1
SCHEMBL573640 0.89 KDM4E (0.58) TPMTHPGDLMNAALDH1A1KDM4E
SCHEMBL572967 0.88 LMNA (0.47) TPMTMAPTHPGDLMNAALDH1A1
SCHEMBL11547921 0.88 ALDH1A1 (0.47) TPMTMAPTHPGDLMNAALDH1A1
SCHEMBL11836249 0.86 TPMT (0.68) TPMTMAPTHPGDLMNAALDH1A1
SCHEMBL8184777 0.86 TPMT (0.62) TPMTMAPTHPGDLMNAALDH1A1
SCHEMBL11800292 0.86 LMNA (0.60) TPMTMAPTHPGDLMNAALDH1A1
SCHEMBL11543490 0.85 TPMT (0.49) TPMTMAPTHPGDLMNAALDH1A1
SCHEMBL11853767 0.83 CA2 (0.48) MAPTHPGDLMNAALDH1A1KDM4E

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 6 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
US-3985777-A Sulphamyl-benzoic acid derivatives LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) 1976-10-12 US disclosed