SCHEMBL11806142

SCHEMBL11806142

CC(=O)Nc1ccccc1Sc1c(NCC=Cc2ccccc2)cc(C(=O)O)cc1S(N)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ BLM P54132 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SLC12A2 P55011 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPT P10636 2/20 0.35
▸ PPARG P37231 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ PTGES2 Q9H7Z7 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL11798849 0.88 PPARG (0.41) CA2ALDH1A1KDM4EHPGDNPSR1
SCHEMBL11801555 0.81 CA2 (0.38) CA2ALDH1A1KDM4EHPGDNPSR1
SCHEMBL11801559 0.81 CA2 (0.38) CA2ALDH1A1KDM4EHPGDNPSR1
Acetanilide SCHEMBL11798856 0.80 PPARG (0.41) CA2ALDH1A1KDM4EHPGDNPSR1
SCHEMBL11799181 0.76 CA2 (0.38) CA2ALDH1A1KDM4EHPGDNPSR1
Aniline SCHEMBL11801565 0.73 CA2 (0.40) CA2ALDH1A1KDM4EHPGDNPSR1
SCHEMBL11802086 0.73 CISD1 (0.45) CA2ALDH1A1KDM4EHPGDNPSR1
SCHEMBL11849579 0.72 CISD1 (0.48) CA2ALDH1A1KDM4EHPGDNPSR1
SCHEMBL11806712 0.71 CA2 (0.38) CA2ALDH1A1KDM4EHPGDNPSR1
Acetanilide SCHEMBL11799186 0.70 CA2 (0.41) CA2ALDH1A1KDM4EHPGDNPSR1

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-3992440-A DIURETICS CIBA-GEIGY CORPORATION (US) 1976-11-16 — — US disclosed
US-3982018-A DIURETICS CIBA-GEIGY CORPORATION (US) 1976-09-21 — — US disclosed
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