SCHEMBL6993553

SCHEMBL6993553

CS(=O)(=O)c1ccc(Cc2cc3ccc(F)cc3[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.50
PTGS1 P23219 3/20 0.50
TDO2 P48775 1/20 0.44
DAO P14920 1/20 0.42
DDO Q99489 1/20 0.42
CNR1 P21554 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
SSTR4 P31391 1/20 0.40

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
SCHEMBL6990951 0.84 DAO (0.49) DAODDOCNR1
SCHEMBL6993972 0.81 DAO (0.44) DAODDOCNR1
SCHEMBL6988904 0.76 CNR1 (0.58) PTGS2PTGS1DAOCNR1
SCHEMBL6994150 0.76 DAO (0.44) PTGS2PTGS1DAODDO
SCHEMBL7487224 0.75 MAP2K4 (0.47) DAODDO
SCHEMBL7935589 0.74 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6943878 0.73 DAO (0.40) TDO2DAODDOCNR1
SCHEMBL6992345 0.73 SIGMAR1 (0.46) DAODDOCNR1
SCHEMBL28197849 0.72 RORC (0.44) PTGS2PTGS1
SCHEMBL549051 0.71 DAO (0.47) DAODDO

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
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
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