SCHEMBL3443

SCHEMBL3443

COC(=O)C(C)(C)NCc1ccc(-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
PTPN1 P18031 1/20 0.46
ESR2 Q92731 1/20 0.44
MME P08473 1/20 0.43
PTPN5 P54829 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
ADAM17 P78536 1/20 0.40
GRIA2 P42262 1/20 0.39
GRIA4 P48058 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
AR P10275 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38

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
SCHEMBL3147 0.88 FFAR1 (0.49) MYCWDR5FFAR1AKR1B1PTPN1
SCHEMBL2553 0.80 PTPN1 (0.41) MYCWDR5FFAR1AKR1B1PTPN1
SCHEMBL6959964 0.78 PTPN1 (0.57) MYCWDR5FFAR1AKR1B1PTPN1
SCHEMBL2208 0.78 MYC (0.48) MYCWDR5FFAR1AKR1B1PTPN1
SCHEMBL21328307 0.77 RIPK1 (0.47) PTPN1MEN1ALDH1A1KMT2A
SCHEMBL2226 0.76 MYC (0.46) MYCWDR5FFAR1AKR1B1PTPN1
SCHEMBL2870 0.76 MYC (0.47) MYCWDR5FFAR1AKR1B1PTPN1
SCHEMBL2132 0.76 MYC (0.47) MYCWDR5FFAR1AKR1B1PTPN1
SCHEMBL7435402 0.75 ESR2 (0.56) MYCWDR5FFAR1AKR1B1ESR2
SCHEMBL2645 0.74 FFAR1 (0.46) MYCWDR5FFAR1AKR1B1PTPN1

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 3 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
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP disclosed