SCHEMBL11801560

SCHEMBL11801560

CC(=O)Nc1cccc(Oc2c(N)cc(C(=O)O)cc2S(N)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ USP2 O75604 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ HIF1A Q16665 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ BLM P54132 1/20 0.48
▸ SLC12A2 P55011 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ P2RX4 Q99571 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPC1 O15118 4/20 0.42
▸ GAA P10253 2/20 0.42
▸ GFER P55789 1/20 0.42
▸ RAB9A P51151 3/20 0.42

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
SCHEMBL11806735 0.88 CA2 (0.48) LMNAALDH1A1KDM4EUSP2HPGD
SCHEMBL11802111 0.85 MEN1 (0.52) LMNAALDH1A1KDM4EUSP2HPGD
SCHEMBL574020 0.82 HSD17B10 (0.64) LMNAALDH1A1KDM4EUSP2HPGD
SCHEMBL11799677 0.81 KDM4E (0.77) LMNAALDH1A1KDM4EUSP2HPGD
Hydrochloric Acid SCHEMBL4751053 0.81 HSD17B10 (0.62) LMNAALDH1A1KDM4EUSP2HPGD
SCHEMBL11803110 0.81 HSD17B10 (0.55) LMNAALDH1A1KDM4EUSP2HPGD
SCHEMBL11803118 0.81 HSD17B10 (0.55) LMNAALDH1A1KDM4EUSP2HPGD
SCHEMBL11849957 0.81 KDM4E (0.51) LMNAALDH1A1KDM4EUSP2HPGD
SCHEMBL11843308 0.78 KDM4E (0.48) LMNAALDH1A1KDM4EUSP2HPGD
SCHEMBL11799270 0.77 CA1 (0.43) LMNAALDH1A1KDM4EHPGDHSD17B10

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
Send feedback