SCHEMBL11855559

SCHEMBL11855559

Nc1cc(C(=O)O)cc(S(N)(=O)=O)c1NCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 10/20 0.46
▸ CA1 P00915 8/20 0.46
▸ AKR1C3 P42330 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ BLM P54132 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SLC12A2 P55011 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MCL1 Q07820 1/20 0.42
▸ BCL2A1 Q16548 1/20 0.42
▸ CA12 O43570 5/20 0.42

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
SCHEMBL11847503 0.87 CISD1 (0.51) CA2CA1KDM4EALDH1A1LMNA
SCHEMBL11848400 0.84 CISD1 (0.52) CA2CA1AKR1C3KDM4EALDH1A1
SCHEMBL11847155 0.82 KMT2A (0.55) CA2CA1ALDH1A1LMNAKMT2A
SCHEMBL11845733 0.80 CA2 (0.56) CA2CA1KDM4EALDH1A1LMNA
SCHEMBL11837682 0.79 PTGER4 (0.55) CA2CA1KDM4EALDH1A1LMNA
SCHEMBL11787230 0.78 CA2 (0.49) CA2CA1AKR1C3KDM4EALDH1A1
SCHEMBL11784477 0.78 CA2 (0.49) CA2CA1AKR1C3KDM4EALDH1A1
SCHEMBL2883310 0.78 KDM4E (0.52) CA2CA1KDM4EALDH1A1LMNA
SCHEMBL11848393 0.77 CA2 (0.43) CA2CA1KDM4EALDH1A1LMNA
SCHEMBL11795249 0.75 CA2 (0.75) CA2CA1AKR1C3KDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3985777-A Sulphamyl-benzoic acid derivatives LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) 1976-10-12 — — US disclosed
Send feedback