SCHEMBL6993928

SCHEMBL6993928

COC(=O)c1cccc2[nH]c(Cc3ccc(Cl)cc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.46
ALOX5 P09917 4/20 0.44
KMT2A Q03164 2/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MEN1 O00255 1/20 0.43
RHEB Q15382 1/20 0.43
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
KDM4C Q9H3R0 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
SCHEMBL6990848 0.88 ALOX5 (0.53) ALOX5
SCHEMBL6990729 0.81 KDM4C (0.46) NR4A2KMT2ASLC6A4SLC6A3MEN1
SCHEMBL16686988 0.80 MTNR1A (0.49) NR4A2ALOX5MTNR1AMTNR1BCDK5
SCHEMBL7427823 0.80 MTNR1A (0.48) NR4A2KMT2AMEN1RHEBMTNR1A
SCHEMBL5002616 0.79 SLC6A4 (0.52) NR4A2ALOX5KMT2ASLC6A4SLC6A3
SCHEMBL7418911 0.78 MTNR1A (0.51) NR4A2KMT2AMEN1MTNR1AMTNR1B
SCHEMBL6992585 0.78 RHEB (0.53) KMT2AMEN1RHEBMTNR1AMTNR1B
SCHEMBL19644057 0.77 NR4A2 (0.51) NR4A2ALOX5CDK5CDK5R1
SCHEMBL6989875 0.76 PRNP (0.46) ALOX5RHEB
SCHEMBL7422802 0.76 ALOX5 (0.44) NR4A2ALOX5MTNR1AMTNR1BCDK5

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