SCHEMBL6137068

SCHEMBL6137068

CCOC(=O)C(C#N)c1ccccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
GAA P10253 2/20 0.56
NPSR1 Q6W5P4 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
PLIN1 O60240 1/20 0.44
LMNA P02545 1/20 0.44
PLIN5 Q00G26 1/20 0.44
ABHD5 Q8WTS1 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
HTT P42858 1/20 0.43
HIF1A Q16665 1/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL31724327 0.86 KMT2A (0.44) SMN1; SMN2MEN1KMT2ANPSR1NPC1
SCHEMBL30168361 0.84 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2AGAANPSR1
SCHEMBL4579109 0.84 GAA (0.58) SMN1; SMN2MEN1KMT2AGAANPSR1
SCHEMBL17843998 0.84 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2AGAANPSR1
SCHEMBL5568981 0.83 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2AGAANPSR1
SCHEMBL4661609 0.82 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AGAANPSR1
SCHEMBL11124907 0.82 MEN1 (0.45) SMN1; SMN2MEN1KMT2AGAANPSR1
SCHEMBL7465410 0.82 MEN1 (0.56) SMN1; SMN2MEN1KMT2AGAANPSR1
SCHEMBL6522396 0.82 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AGAANPSR1
SCHEMBL11124527 0.81 GAA (0.42) SMN1; SMN2MEN1KMT2AGAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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