SCHEMBL5281345

SCHEMBL5281345

CCOC(=O)C(C#N)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 2/20 0.43
PPARG P37231 3/20 0.43
EPHX2 P34913 1/20 0.43
FFAR1 O14842 5/20 0.40
PDE2A O00408 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
LMNA P02545 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
SCHEMBL17466005 0.87 MEN1 (0.58) MEN1KMT2AGAASMN1; SMN2NPSR1
SCHEMBL29595371 0.87 SMN1; SMN2 (0.49) MEN1KMT2AGAASMN1; SMN2EPHX2
SCHEMBL10387262 0.83 SMN1; SMN2 (0.47) MEN1KMT2AGAASMN1; SMN2NPSR1
SCHEMBL360667 0.83 SMN1; SMN2 (0.51) MEN1KMT2AGAASMN1; SMN2NPSR1
SCHEMBL6289274 0.83 SMN1; SMN2 (0.54) MEN1KMT2AGAASMN1; SMN2NPSR1
SCHEMBL28147664 0.83 NPSR1 (0.49) MEN1KMT2AGAANPSR1POLB
SCHEMBL28518363 0.81 MEN1 (0.52) MEN1KMT2AGAASMN1; SMN2NPSR1
SCHEMBL30771326 0.80 SMN1; SMN2 (0.51) MEN1KMT2AGAASMN1; SMN2MAPT
SCHEMBL5081149 0.80 SMN1; SMN2 (0.51) MEN1KMT2AGAASMN1; SMN2POLB
SCHEMBL13700788 0.80 KMT2A (0.51) MEN1KMT2AGAASMN1; SMN2NPSR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3172272-B1 MODIFIED HETEROPHASIC POLYOLEFIN COMPOSITION MILLIKEN & CO (US) 2020-11-25 EP disclosed
WO-2016014122-A1 MODIFIED HETEROPHASIC POLYOLEFIN COMPOSITION MILLIKEN & COMPANY (US) 2016-01-28 WO disclosed
EP-1313560-B1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION UNIV YALE (US) 2007-12-19 EP disclosed
EP-1313560-A4 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION UNIV YALE (US) 2005-02-09 EP disclosed
EP-1313560-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2003-05-28 EP disclosed
US-6562989-B2 Bicyclopentyl iron ligand and transition metal catalyst YALE UNIVERSITY 2003-05-13 US disclosed
US-20030008768-A1 Catalyst for aromatic C-O, C-N, and C-C bond formation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US disclosed
WO-2002011883-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2002-02-14 WO disclosed