SCHEMBL11854968

SCHEMBL11854968

CCOC(=O)c1cc(NCc2ccccc2)c(Nc2ccc(Cl)cc2)c(S(N)(=O)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CA12 O43570 6/20 0.43
▸ CA1 P00915 6/20 0.43
▸ CA2 P00918 6/20 0.43
▸ CA7 P43166 6/20 0.43
▸ CA3 P07451 5/20 0.43
▸ CA6 P23280 5/20 0.43
▸ CA13 Q8N1Q1 5/20 0.43
▸ CA14 Q9ULX7 5/20 0.43
▸ CA9 Q16790 4/20 0.43
▸ CA5B Q9Y2D0 4/20 0.43
▸ CA5A P35218 4/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 5/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 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
SCHEMBL11853481 0.93 MAPT (0.49) CISD1ALDH1A1NPSR1LMNAALOX15
SCHEMBL11843963 0.93 ALOX15 (0.48) CISD1ALOX15CA12CA1CA2
SCHEMBL11843783 0.93 ALOX15 (0.46) CISD1ALDH1A1LMNAALOX15CA12
SCHEMBL11843685 0.90 MAPT (0.44) CISD1ALDH1A1NPSR1LMNAALOX15
SCHEMBL11846270 0.88 ALOX15 (0.44) CISD1ALOX15CA12CA1CA2
SCHEMBL11853856 0.87 CISD1 (0.54) CISD1ALDH1A1NPSR1LMNACA12
SCHEMBL11838101 0.87 ALOX15 (0.44) CISD1ALDH1A1NPSR1ALOX15CA12
SCHEMBL11849129 0.85 MAPT (0.46) ALDH1A1NPSR1LMNAALOX15CA2
SCHEMBL11840275 0.84 RXFP1 (0.47) NPSR1LMNAALOX15TP53MAPT
SCHEMBL11852452 0.83 ALOX15 (0.46) CISD1ALDH1A1NPSR1LMNAALOX15

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