SCHEMBL11850838

SCHEMBL11850838

CNS(=O)(=O)c1cc(C(=O)O)cc(NCc2ccccc2)c1Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.57
▸ HPGD P15428 3/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ USP2 O75604 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ HIF1A Q16665 2/20 0.57
▸ CA2 P00918 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ SLC12A2 P55011 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ HDAC8 Q9BY41 7/20 0.44
▸ HDAC1 Q13547 4/20 0.43
▸ HDAC6 Q9UBN7 4/20 0.43
▸ AQP1 P29972 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ PTGS2 P35354 3/20 0.41
▸ SLC6A4 P31645 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40

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
SCHEMBL11843998 0.89 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10KDM4EUSP2
SCHEMBL11847754 0.89 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10KDM4EUSP2
SCHEMBL11789242 0.86 CA2 (0.71) ALDH1A1HPGDHSD17B10KDM4EUSP2
SCHEMBL11848504 0.86 ALDH1A1 (0.56) ALDH1A1HPGDHSD17B10KDM4EUSP2
SCHEMBL11849556 0.86 CA2 (0.67) ALDH1A1HPGDHSD17B10KDM4EUSP2
SCHEMBL2741852 0.85 KDM4E (0.79) ALDH1A1HPGDHSD17B10KDM4EUSP2
SCHEMBL11842089 0.85 LMNA (0.51) ALDH1A1HPGDHSD17B10KDM4EUSP2
SCHEMBL11843466 0.84 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10KDM4EUSP2
SCHEMBL11396718 0.83 ALDH1A1 (0.53) ALDH1A1HPGDHSD17B10KDM4EUSP2
SCHEMBL11849479 0.82 CA2 (0.65) ALDH1A1HPGDHSD17B10KDM4EUSP2

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
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