SCHEMBL2603

SCHEMBL2603

CCOC(=O)CC(C)NCc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.46
WDR5 P61964 1/20 0.46
MME P08473 1/20 0.44
NLRP3 Q96P20 1/20 0.43
FFAR1 O14842 1/20 0.42
AKR1B1 P15121 1/20 0.42
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTPN1 P18031 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
ESR2 Q92731 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
ADAM17 P78536 1/20 0.39
PPARG P37231 3/20 0.39
HSD17B10 Q99714 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA4 P48058 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
SCHEMBL16839755 0.82 ALDH1A1 (0.47) ALDH1A1GAACD274
SCHEMBL2870 0.81 MYC (0.47) MYCWDR5MMEFFAR1AKR1B1
SCHEMBL2132 0.81 MYC (0.47) MYCWDR5MMEFFAR1AKR1B1
SCHEMBL3121 0.80 MYC (0.43) MYCWDR5MMEFFAR1AKR1B1
SCHEMBL2465 0.80 MYC (0.43) MYCWDR5MMEFFAR1AKR1B1
SCHEMBL2103 0.80 MYC (0.47) MYCWDR5MMENLRP3FFAR1
SCHEMBL8936169 0.80 PPID (0.55) ALDH1A1L3MBTL1PPARGMAPT
SCHEMBL536970 0.80 PPID (0.55) ALDH1A1L3MBTL1PPARGMAPT
SCHEMBL8239406 0.79 MME (0.45) MYCWDR5MMEFFAR1AKR1B1
SCHEMBL10057911 0.79 MME (0.45) MYCWDR5MMEFFAR1AKR1B1

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