SCHEMBL11788810

SCHEMBL11788810

CCc1cc(NCc2cccs2)c(C(=O)O)cc1S(N)(=O)=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 12/20 0.74
▸ KDM4C Q9H3R0 1/20 0.49
▸ CA12 O43570 3/20 0.48
▸ CA1 P00915 3/20 0.48
▸ CA2 P00918 3/20 0.48
▸ CA6 P23280 3/20 0.48
▸ CA5A P35218 3/20 0.48
▸ CA7 P43166 3/20 0.48
▸ CA14 Q9ULX7 3/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ CA5B Q9Y2D0 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ CA4 P22748 1/20 0.48
▸ HSD11B1 P28845 1/20 0.48
▸ SLC10A1 Q14973 1/20 0.48
▸ GPR35 Q9HC97 1/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ PDE4D Q08499 1/20 0.43

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
SCHEMBL11787100 0.91 CISD1 (0.68) CISD1KDM4CCA12CA1CA2
SCHEMBL11875494 0.86 CISD1 (0.73) CISD1KDM4CCA12CA1CA2
SCHEMBL11789259 0.86 CISD1 (0.73) CISD1KDM4CCA12CA1CA2
SCHEMBL1714459 0.85 CISD1 (1.00) CISD1KDM4CCA12CA1CA2
SCHEMBL10963109 0.82 CISD1 (0.68) CISD1KDM4CCA12CA1CA2
SCHEMBL11708093 0.81 CISD1 (0.69) CISD1KDM4CCA12CA1CA2
SCHEMBL11790865 0.80 CISD1 (0.74) CISD1KDM4CCA12CA1CA2
SCHEMBL18426052 0.74 CISD1 (0.76) CISD1CA12CA1CA2CA6
SCHEMBL11202416 0.73 ALDH1A1 (0.67) CISD1KDM4CCA12CA1CA2
SCHEMBL11159696 0.72 CISD1 (0.58) CISD1KDM4CCA1CA2CA5A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3991188-A SALURETICS BOEHRINGER MANNHEIM G.M.B.H. (DT) 1976-11-09 — — US claimed
US-3991188-A SALURETICS BOEHRINGER MANNHEIM G.M.B.H. (DT) 1976-11-09 — — US disclosed
Send feedback