SCHEMBL2200

SCHEMBL2200

CCOC(=O)C(CC)(CC)CNCc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.45
WDR5 P61964 1/20 0.45
FFAR1 O14842 1/20 0.41
AKR1B1 P15121 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PTPN1 P18031 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MME P08473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR2 Q92731 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
PTPN5 P54829 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
NLRP3 Q96P20 1/20 0.38
ITGB1 P05556 1/20 0.37

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
SCHEMBL2226 0.88 MYC (0.46) MYCWDR5FFAR1AKR1B1ALDH1A1
SCHEMBL8485600 0.81 MAOB (0.41) MYCWDR5FFAR1ALDH1A1GAA
SCHEMBL2103 0.79 MYC (0.47) MYCWDR5FFAR1AKR1B1ALDH1A1
SCHEMBL8482925 0.79 ABL1 (0.40) MYCWDR5FFAR1AKR1B1ALDH1A1
SCHEMBL2687 0.77 MYC (0.45) MYCWDR5FFAR1AKR1B1ALDH1A1
SCHEMBL2515 0.75 LTB4R2 (0.49) FFAR1AKR1B1
SCHEMBL2208 0.75 MYC (0.48) MYCWDR5FFAR1AKR1B1ALDH1A1
SCHEMBL2311 0.74 ITGB1 (0.43) MYCWDR5FFAR1AKR1B1ALDH1A1
SCHEMBL2563 0.73 ITGB1 (0.42) MYCWDR5FFAR1AKR1B1ALDH1A1
SCHEMBL1629 0.73 MYC (0.45) MYCWDR5FFAR1AKR1B1ALDH1A1

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
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed