SCHEMBL11788977

SCHEMBL11788977

NS(=O)(=O)c1cc(C(=O)O)cc(NCc2ccccc2)c1Sc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 2/20 0.53
▸ CA2 P00918 16/20 0.47
▸ CA1 P00915 13/20 0.47
▸ CA12 O43570 11/20 0.47
▸ CA7 P43166 10/20 0.47
▸ CA13 Q8N1Q1 10/20 0.47
▸ CA9 Q16790 10/20 0.47
▸ CA3 P07451 9/20 0.47
▸ CA6 P23280 9/20 0.47
▸ CA14 Q9ULX7 9/20 0.47
▸ CA5B Q9Y2D0 8/20 0.47
▸ CA5A P35218 7/20 0.47
▸ CA4 P22748 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL11796619 0.93 CISD1 (0.49) CISD1CA2CA1CA12CA7
SCHEMBL11784489 0.90 CA2 (0.47) CISD1CA2CA1CA12CA7
SCHEMBL11802086 0.89 CISD1 (0.45) CISD1CA2CA1CA12CA7
SCHEMBL22922714 0.87 CISD1 (0.50) CISD1CA2CA1CA12CA7
SCHEMBL11788811 0.86 ALDH1A1 (0.55) CISD1CA2CA1CA12CA7
SCHEMBL11157459 0.85 CISD1 (0.39) CISD1CA2CA1CA12CA7
SCHEMBL11849579 0.85 CISD1 (0.48) CISD1CA2CA1CA12CA7
SCHEMBL11787394 0.85 CA2 (0.49) CISD1CA2CA1CA12CA7
SCHEMBL11790004 0.85 CA2 (0.52) CISD1CA2CA1CA12CA7
SCHEMBL11386335 0.84 CISD1 (0.48) CISD1CA2CA1CA12CA7

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-3991097-A BORON HYDRIDE OR METAL BOROHYDRIDES AS REDUCING AGENT, LEWIS ACID HOECHST AKTIENGESELLSCHAFT (DT) 1976-11-09 — — US disclosed
US-3985777-A Sulphamyl-benzoic acid derivatives LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) 1976-10-12 — — US disclosed
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