SCHEMBL6989119

SCHEMBL6989119

Cc1ccc2[nH]c(C)c(Cc3ccc(Cl)cc3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.58
PTGS2 P35354 2/20 0.58
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GAA P10253 1/20 0.52
HSD17B10 Q99714 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
HTR7 P34969 1/20 0.50
HTR2B P41595 1/20 0.50
HTR6 P50406 1/20 0.50
PTPN5 P54829 1/20 0.48
TBXAS1 P24557 1/20 0.47
ALKBH3 Q96Q83 1/20 0.46
SLC2A1 P11166 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
SCHEMBL7491796 0.82 TUBB4A (0.61) PTGS2ALDH1A1KDM4EHPGDPOLB
SCHEMBL27644764 0.82 MEN1 (0.59) PTGS1PTGS2ALDH1A1KDM4EMAPT
SCHEMBL6990793 0.80 PTGS1 (0.56) PTGS1PTGS2ALDH1A1KDM4EMAPT
Acetic Acid SCHEMBL8733648 0.77 PTPN5 (0.68) PTGS1PTGS2ALDH1A1KDM4EMAPT
SCHEMBL8581489 0.76 KDM4E (0.60) PTGS1PTGS2ALDH1A1KDM4EMAPT
SCHEMBL24201870 0.75 HSD17B10 (0.75) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL11051379 0.74 RAB9A (0.55) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL5117847 0.73 PTGS2 (1.00) PTGS1PTGS2SLC2A1
SCHEMBL11252738 0.72 HTR7 (0.63) PTGS1PTGS2GAAHSD17B10ADRA2A
SCHEMBL11053354 0.72 KMT2A (0.62) ALDH1A1KDM4EMAPTMEN1KMT2A

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