SCHEMBL11777320

SCHEMBL11777320

Nc1ccc(Nc2c(NCc3ccccc3)cc(C(=O)O)cc2S(N)(=O)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 2/20 0.49
▸ CA2 P00918 10/20 0.44
▸ CA12 O43570 9/20 0.44
▸ CA1 P00915 9/20 0.44
▸ CA9 Q16790 8/20 0.44
▸ CA3 P07451 6/20 0.44
▸ CA6 P23280 6/20 0.44
▸ CA7 P43166 6/20 0.44
▸ CA13 Q8N1Q1 6/20 0.44
▸ CA14 Q9ULX7 6/20 0.44
▸ CA5B Q9Y2D0 5/20 0.44
▸ CA5A P35218 5/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ BLM P54132 1/20 0.41

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
SCHEMBL11841241 0.93 CISD1 (0.53) CISD1CA2CA12CA1CA9
SCHEMBL11853856 0.90 CISD1 (0.54) CISD1CA2CA12CA1CA9
SCHEMBL11846910 0.90 CISD1 (0.48) CISD1CA2CA12CA1CA9
SCHEMBL11784962 0.89 L3MBTL1 (0.46) CISD1ALDH1A1HPGDHSD17B10LMNA
SCHEMBL11783802 0.89 CISD1 (0.47) CISD1CA2CA12CA1CA9
SCHEMBL11850459 0.88 PPARA (0.46) CISD1CA2CA12CA1CA9
SCHEMBL11849176 0.87 MRGPRX4 (0.54) CISD1CA2CA12CA1CA9
SCHEMBL11842259 0.86 CISD1 (0.57) CISD1CA2CA12CA1CA9
SCHEMBL11780992 0.86 L3MBTL1 (0.41) CISD1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL11778805 0.85 ALDH1A1 (0.53) CISD1CA2CA12CA1CA9

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-3933906-A DIURETIC CIBA-GEIGY CORPORATION (US) 1976-01-20 — — US disclosed
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