SCHEMBL6988904

SCHEMBL6988904

CS(=O)(=O)c1ccc(Cc2cc3cc(Cl)ccc3[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.58
PTGS2 P35354 8/20 0.50
PTGS1 P23219 3/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
SIRT1 Q96EB6 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
DAO P14920 1/20 0.42
POLB P06746 1/20 0.40
PCSK9 Q8NBP7 1/20 0.40
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
IDH1 O75874 1/20 0.39

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
SCHEMBL6826452 0.84 LOXL2 (0.64) LOXL2SIRT1SMN1; SMN2DAOPCSK9
SCHEMBL6989299 0.79 LOXL2 (0.57) CNR1LOXL2SIRT1SMN1; SMN2DAO
SCHEMBL8802664 0.79 LOXL2 (0.57) LOXL2SIRT1SMN1; SMN2DAOPCSK9
SCHEMBL6824873 0.78 LOXL2 (0.60) LOXL2SIRT1SMN1; SMN2DAOPCSK9
SCHEMBL866136 0.77 LOXL2 (0.72) LOXL2SIRT1SMN1; SMN2DAOPCSK9
SCHEMBL12096730 0.77 SIRT1 (0.56) LOXL2SIRT1SMN1; SMN2DAOF7
SCHEMBL8308055 0.76 MEN1 (0.60) CNR1PTGS2PTGS1SMN1; SMN2
SCHEMBL6993553 0.76 PTGS2 (0.50) CNR1PTGS2PTGS1DAO
SCHEMBL6994727 0.76 LOXL2 (0.57) LOXL2SIRT1SMN1; SMN2DAOPCSK9
SCHEMBL6824328 0.74 LOXL2 (0.58) LOXL2SIRT1SMN1; SMN2DAOPCSK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322646-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY Novuspharma S.p.A. (IT) 2003-07-02 EP disclosed
EP-1244652-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY Cell Therapeutics Europe S.R.L. (IT) 2002-10-02 EP disclosed
WO-2002008225-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2002-01-31 WO disclosed
WO-2001047916-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2001-07-05 WO disclosed