SCHEMBL9811266

SCHEMBL9811266

Cc1ccc(S(=O)(=O)ON2C[C@H](NC(=O)OC(C)(C)C)C(=O)N2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
VDR P11473 1/20 0.36
NAAA Q02083 1/20 0.35
NFKB1 P19838 3/20 0.35
NFKB2 Q00653 3/20 0.35
RELA Q04206 3/20 0.35
MMP2 P08253 1/20 0.35
ANPEP P15144 1/20 0.35
MMP13 P45452 1/20 0.35
HSD11B1 P28845 1/20 0.34
EPHX2 P34913 1/20 0.34
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
ENPP2 Q13822 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL9811260 0.72 GAA (0.43) GAAMAOAMAOBNAAANFKB1
SCHEMBL9811256 0.72 GAA (0.43) GAAMAOAMAOBNAAANFKB1
SCHEMBL10805572 0.71 MAOA (0.39) GAAMAOAMAOBNAAANFKB1
SCHEMBL11394753 0.71 MAOA (0.39) GAAMAOAMAOBNAAANFKB1
SCHEMBL11394758 0.71 MAOA (0.39) GAAMAOAMAOBNAAANFKB1
SCHEMBL23283150 0.69 CYP2D6 (0.44) MAOAMAOBNFKB1NFKB2RELA
SCHEMBL3280254 0.69 CYP2D6 (0.44) MAOAMAOBNFKB1NFKB2RELA
SCHEMBL131489 0.69 CYP2D6 (0.44) MAOAMAOBNFKB1NFKB2RELA
SCHEMBL16611336 0.68 CYP2D6 (0.49) MAOAMAOBEPHX2ALDH1A1TSHR
SCHEMBL1446689 0.68 CYP2D6 (0.49) MAOAMAOBEPHX2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0202795-B1 4-SUBSTITUTED DIAZOLIDINONES ELI LILLY AND COMPANY (US) 1991-06-12 EP disclosed
US-5011938-A Antimicrobials ELI LILLY AND COMPANY (US) 1991-04-30 US disclosed
US-4940718-A BACTERICIDES ELI LILLY AND COMPANY (US) 1990-07-10 US disclosed
US-4826993-A Substituted diazolidinones ELI LILLY AND COMPANY (US) 1989-05-02 US disclosed
US-4795815-A BACTERICIDES, MICROBIOCIDES ELI LILLY AND COMPANY (US) 1989-01-03 US disclosed
US-4767871-A Pyrazolidinium ylides ELI LILLY AND COMPANY (US) 1988-08-30 US disclosed
US-4734504-A 1-alkylated diazolidinones ELI LILLY AND COMPANY (US) 1988-03-29 US disclosed
US-4734505-A 1-(alkylated)-2-(acylated)diazolidinones ELI LILLY AND COMPANY (US) 1988-03-29 US disclosed
US-4716232-A 1-(vinyl phosphonate adduct) pyrazolidinones ELI LILLY AND COMPANY (US) 1987-12-29 US disclosed
EP-0202795-A1 4-Substituted diazolidinones ELI LILLY AND COMPANY (US) 1986-11-26 EP disclosed
EP-0202047-A1 Pyrazolidinium ylides ELI LILLY AND COMPANY (US) 1986-11-20 EP disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 EP disclosed