SCHEMBL6990793

SCHEMBL6990793

Cc1[nH]c2ccc([N+](=O)[O-])cc2c1Cc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
CNR1 P21554 1/20 0.47
PSD A5PKW4 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
LMNA P02545 1/20 0.46
PTPN5 P54829 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
HTR6 P50406 2/20 0.44
HTR2A P28223 1/20 0.44
TBXAS1 P24557 1/20 0.44
CA12 O43570 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
SCHEMBL9400646 0.80 MAPT (0.54) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL6989119 0.80 PTGS1 (0.58) PTGS1PTGS2CNR1MEN1KMT2A
SCHEMBL14979225 0.79 MEN1 (0.52) PTGS1PTGS2MEN1KMT2AMAPT
SCHEMBL8542497 0.78 MAPT (0.53) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL5653778 0.78 MAPT (0.51) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL5132988 0.77 PTPN5 (0.53) CNR1MEN1KMT2AMAPTALDH1A1
SCHEMBL5126899 0.77 PTPN5 (0.58) CNR1MEN1KMT2AMAPTALDH1A1
SCHEMBL6765948 0.76 HTR6 (0.59) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL3373825 0.75 PTGS1 (0.56) PTGS1PTGS2MEN1KMT2AMAPT
SCHEMBL9400712 0.74 KCNH2 (0.63) MEN1KMT2AMAPTALDH1A1POLB

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