SCHEMBL6993216

SCHEMBL6993216

O=[N+]([O-])c1ccc2[nH]c(Cc3ccc(Cl)cc3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CYP19A1 P11511 2/20 0.47
MAPT P10636 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HTT P42858 4/20 0.46
NPC1 O15118 2/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 2/20 0.46
NPBWR1 P48145 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RIPK1 Q13546 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL6991293 0.86 CYP19A1 (0.47) CYP19A1MAPTMEN1KMT2ANPC1
SCHEMBL2124122 0.86 CYP19A1 (0.59) CYP19A1MAPTMEN1KMT2ANPC1
SCHEMBL6826452 0.81 LOXL2 (0.64) CYP19A1MAPTMEN1KMT2ANPC1
SCHEMBL2266501 0.80 GRIN1 (0.45) CYP19A1MAPTMEN1KMT2AHTT
SCHEMBL27964336 0.79 MEN1 (0.53) CYP19A1MAPTMEN1KMT2ANPC1
SCHEMBL27532988 0.78 CYP19A1 (0.55) CYP19A1MAPTHTTNPC1LMNA
SCHEMBL23320461 0.77 CYP19A1 (0.54) CYP19A1MAPTHTTNPC1LMNA
SCHEMBL5828718 0.77 CYP19A1 (0.54) CYP19A1MAPTMEN1KMT2ALMNA
SCHEMBL6257538 0.77 CYP19A1 (0.54) CYP19A1MAPTMEN1KMT2ALMNA
SCHEMBL8116597 0.76 CYP19A1 (0.50) CYP19A1MAPTHTTLMNASMN1; SMN2

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