SCHEMBL11779282

SCHEMBL11779282

CC=CCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Nc1ccc(N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 8/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ SLC12A2 P55011 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RAPGEF4 Q8WZA2 1/20 0.35
▸ CA1 P00915 7/20 0.34
▸ CA12 O43570 5/20 0.34
▸ CA9 Q16790 5/20 0.34
▸ PKM P14618 1/20 0.34
▸ GAA P10253 5/20 0.33
▸ MAPT P10636 4/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL11779276 1.00 CA2 (0.38) CA2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11777604 0.91 CA2 (0.43) CA2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11777610 0.91 CA2 (0.43) CA2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11783535 0.82 CA2 (0.58) CA2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11777320 0.81 CISD1 (0.49) CA2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11806712 0.80 CA2 (0.38) CA2KDM4EALDH1A1HPGDHSD17B10
Aniline SCHEMBL11806717 0.80 CA2 (0.43) CA2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11782600 0.80 MEN1 (0.43) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11782595 0.80 MEN1 (0.43) KDM4EALDH1A1HPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL11803363 0.80 HPGD (0.57) CA2KDM4EALDH1A1HPGDHSD17B10

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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