SCHEMBL11075622

SCHEMBL11075622

CN(c1ccccc1)c1cc(NCc2ccccc2)c(-c2nnn[nH]2)cc1S(N)(=O)=O.[Na]

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 2/20 0.39
▸ CA1 P00915 10/20 0.37
▸ CA2 P00918 10/20 0.37
▸ CA9 Q16790 9/20 0.37
▸ CA12 O43570 8/20 0.37
▸ CA3 P07451 6/20 0.37
▸ CA6 P23280 6/20 0.37
▸ CA7 P43166 6/20 0.37
▸ CA13 Q8N1Q1 6/20 0.37
▸ CA14 Q9ULX7 6/20 0.37
▸ CA5A P35218 5/20 0.37
▸ CA5B Q9Y2D0 5/20 0.37
▸ PDE4D Q08499 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ MAPK1 P28482 1/20 0.32
▸ P2RY4 P51582 1/20 0.32

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
SCHEMBL11075618 0.98 CISD1 (0.39) CISD1CA1CA2CA9CA12
SCHEMBL11077293 0.88 ALDH1A1 (0.42) CISD1CA1CA2CA9CA12
SCHEMBL11077269 0.86 ALDH1A1 (0.42) CISD1CA1CA2CA9CA12
SCHEMBL11115185 0.80 CISD1 (0.39) CISD1CA1CA2CA9CA12
SCHEMBL10962539 0.76 CISD1 (0.66) CISD1CA1CA2CA9CA12
SCHEMBL11217820 0.76 CISD1 (0.48) CISD1CA1CA2CA9CA12
SCHEMBL10963452 0.74 CISD1 (0.47) CISD1CA1CA2CA9CA12
SCHEMBL11381881 0.71 CA1 (0.51) CISD1CA1CA2CA9CA12
Azosemide SCHEMBL231405 0.70 PDE4D (0.58) CISD1CA1CA2CA9CA12
SCHEMBL12522802 0.69 PDE4D (0.55) CISD1PDE4DPDE3AMAPK1

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-4478843-A 5-Phenyltetrazoles and their use as salidiuretics HOECHST AKTIENGESELLSCHAFT (DE) 1984-10-23 — — US disclosed
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