SCHEMBL11852452

SCHEMBL11852452

CCOC(=O)c1cc(NCc2ccccc2)c(Nc2ccc(C)cc2C)c(S(N)(=O)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ CISD1 Q9NZ45 1/20 0.41
▸ CA12 O43570 4/20 0.40
▸ CA1 P00915 4/20 0.40
▸ CA2 P00918 4/20 0.40
▸ CA3 P07451 4/20 0.40
▸ CA6 P23280 4/20 0.40
▸ CA5A P35218 4/20 0.40
▸ CA7 P43166 4/20 0.40
▸ CA13 Q8N1Q1 4/20 0.40
▸ CA14 Q9ULX7 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CA9 Q16790 3/20 0.39
▸ CA5B Q9Y2D0 3/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL11840804 0.89 CISD1 (0.47) SMN1; SMN2CISD1CA12CA1CA2
SCHEMBL11843783 0.89 ALOX15 (0.46) ALOX15SMN1; SMN2CISD1CA12CA1
SCHEMBL11843963 0.88 ALOX15 (0.48) ALOX15SMN1; SMN2CISD1CA12CA1
SCHEMBL11838101 0.87 ALOX15 (0.44) ALOX15SMN1; SMN2CISD1CA12CA1
SCHEMBL11853481 0.86 MAPT (0.49) ALOX15SMN1; SMN2CISD1CA12CA1
SCHEMBL11854968 0.83 CISD1 (0.45) ALOX15SMN1; SMN2CISD1CA12CA1
SCHEMBL11843685 0.83 MAPT (0.44) ALOX15SMN1; SMN2CISD1CA12CA1
SCHEMBL11846270 0.83 ALOX15 (0.44) ALOX15SMN1; SMN2CISD1CA12CA1
SCHEMBL11849129 0.81 MAPT (0.46) ALOX15SMN1; SMN2CA2MAPTNPSR1
SCHEMBL11840275 0.80 RXFP1 (0.47) ALOX15MAPTNPSR1LMNATP53

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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