SCHEMBL2103

SCHEMBL2103

CCOC(=O)CCNCc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.47
WDR5 P61964 1/20 0.47
FFAR1 O14842 1/20 0.46
AKR1B1 P15121 1/20 0.46
NLRP3 Q96P20 1/20 0.45
LTA4H P09960 2/20 0.44
MME P08473 1/20 0.43
CD274 Q9NZQ7 2/20 0.42
PDCD1 Q15116 1/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ESR2 Q92731 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.41
TOP2A P11388 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA4 P48058 1/20 0.40
PTPN1 P18031 1/20 0.39

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
SCHEMBL16839742 0.81 LTA4H (0.55) LTA4HALDH1A1SMN1; SMN2TOP2A
SCHEMBL6606339 0.80 ESR2 (0.49) MYCWDR5FFAR1AKR1B1MME
SCHEMBL2226 0.80 MYC (0.46) MYCWDR5FFAR1AKR1B1NLRP3
SCHEMBL2603 0.80 MYC (0.46) MYCWDR5FFAR1AKR1B1NLRP3
SCHEMBL2208 0.80 MYC (0.48) MYCWDR5FFAR1AKR1B1MME
SCHEMBL2687 0.79 MYC (0.45) MYCWDR5FFAR1AKR1B1NLRP3
SCHEMBL2200 0.79 MYC (0.45) MYCWDR5FFAR1AKR1B1NLRP3
SCHEMBL549268 0.79 LTA4H (0.60) LTA4HALDH1A1SMN1; SMN2TOP2A
SCHEMBL6606543 0.78 HRH4 (0.54) MYCWDR5MMECD274PDCD1
SCHEMBL2545 0.77 L3MBTL1 (0.47) MYCWDR5FFAR1AKR1B1MME

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