SCHEMBL11843695

SCHEMBL11843695

CCOC(=O)c1cc(NCc2ccccc2)c(OCC(F)(F)F)c(S(N)(=O)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.45
▸ CA2 P00918 6/20 0.43
▸ NPSR1 Q6W5P4 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ SLC12A2 P55011 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CISD1 Q9NZ45 1/20 0.41
▸ CA12 O43570 5/20 0.40
▸ CA1 P00915 5/20 0.40
▸ CA7 P43166 5/20 0.40
▸ CA3 P07451 4/20 0.40
▸ CA6 P23280 4/20 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
SCHEMBL11850772 0.88 CA2 (0.50) CA2NPSR1LMNAALDH1A1KDM4E
SCHEMBL11846114 0.85 KDM4E (0.51) ALOX15CA2NPSR1LMNAALDH1A1
SCHEMBL11851183 0.81 CA2 (0.53) ALOX15CA2NPSR1LMNAALDH1A1
SCHEMBL11840282 0.81 ALDH1A1 (0.55) ALOX15CA2NPSR1LMNAALDH1A1
SCHEMBL11840275 0.79 RXFP1 (0.47) ALOX15NPSR1LMNAMAPTRXFP1
SCHEMBL11843963 0.79 ALOX15 (0.48) ALOX15CA2SMN1; SMN2CISD1CA12
SCHEMBL11853481 0.77 MAPT (0.49) ALOX15CA2NPSR1LMNAALDH1A1
SCHEMBL11845195 0.76 CA2 (0.47) ALOX15CA2NPSR1LMNAALDH1A1
SCHEMBL11855571 0.76 ALOX15 (0.46) ALOX15CA2NPSR1LMNAALDH1A1
SCHEMBL11843783 0.76 ALOX15 (0.46) ALOX15CA2LMNAALDH1A1SMN1; SMN2

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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