SCHEMBL9585488

SCHEMBL9585488

N#Cc1ccc(C(=O)S)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.61
CA1 P00915 3/20 0.61
GSK3B P49841 2/20 0.55
PARP15 Q460N3 1/20 0.50
PARP10 Q53GL7 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
CA12 O43570 2/20 0.48
CA3 P07451 2/20 0.48
CA6 P23280 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA4 P22748 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
MAOA P21397 1/20 0.44
MAOB P27338 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
SCHEMBL6277579 0.80 CA2 (0.54) CA2CA1GSK3BPARP15PARP10
SCHEMBL3753847 0.80 CA2 (0.67) CA2CA1GSK3BPARP15PARP10
SCHEMBL3433075 0.80 CA2 (0.67) CA2CA1GSK3BPARP15PARP10
SCHEMBL1178638 0.79 CA1 (0.71) CA2CA1CA12CA3CA6
SCHEMBL216706 0.78 CA2 (0.64) CA2CA1GSK3BPARP15PARP10
SCHEMBL3760734 0.78 CA2 (0.52) CA2CA1GSK3BPARP15PARP10
SCHEMBL2163556 0.78 CA2 (0.64) CA2CA1GSK3BPARP15PARP10
SCHEMBL14307469 0.78 CA2 (0.64) CA2CA1GSK3BPARP15PARP10
Bicarbonate SCHEMBL11748879 0.76 CA2 (0.61) CA2CA1GSK3BPARP15PARP10
SCHEMBL2369004 0.76 CA2 (0.50) CA2CA1GSK3BPARP15PARP10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114839366-A Nanoparticle for detecting antigen protein and preparation method thereof 南方科技大学 2022-08-02 CN claimed
US-4252814-A ANTIFERTILITY AGENTS, INSECTICIDES AMERICAN CYANAMID COMPANY (US) 1981-02-24 US claimed
CN-114839366-A Nanoparticle for detecting antigen protein and preparation method thereof 南方科技大学 2022-08-02 CN disclosed
WO-2010118287-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. (US) 2010-10-14 WO disclosed
US-5204482-A Ethylenediamine monoamide heteroaryl derivatives HOFFMAN-LAROCHE INC. (US) 1993-04-20 US disclosed
US-5011849-A Monoamine oxidase inhibitors HOFFMANN-LA ROCHE INC. (US) 1991-04-30 US disclosed
EP-0212404-A1 7-oxo-4-thia-1-azabicyclo [3.2.0] hept-2-ene derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-04 EP disclosed