SCHEMBL4755702

SCHEMBL4755702

OC1CCOc2c(F)cccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.50
MAP3K14 Q99558 2/20 0.45
TERT O14746 1/20 0.37
HTR1A P08908 4/20 0.36
P2RX7 Q99572 1/20 0.36
JAK2 O60674 6/20 0.35
JAK3 P52333 6/20 0.35
JAK1 P23458 3/20 0.35
ADRA2B P18089 1/20 0.35
ADRA1A P35348 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL22143945 1.00 ADRA2A (0.50) ADRA2AMAP3K14TERTHTR1AP2RX7
SCHEMBL8291514 0.82 MAP3K14 (0.57) ADRA2AMAP3K14HTR1AADRA2BADRA1A
SCHEMBL13506581 0.82 MAP3K14 (0.47) ADRA2AMAP3K14HTR1A
SCHEMBL2593064 0.81 CYP19A1 (0.41) ADRA2AMAP3K14TERT
SCHEMBL25166675 0.79 MAP3K14 (0.45) ADRA2AMAP3K14HTR1AP2RX7ADRA2B
SCHEMBL6026797 0.79 MAP3K14 (0.51) ADRA2AMAP3K14P2RX7JAK2JAK3
SCHEMBL4795376 0.79 ADRA2A (0.50) ADRA2ATERTJAK2JAK3JAK1
SCHEMBL4753561 0.79 ADRA2A (0.50) ADRA2ATERTP2RX7JAK2JAK3
SCHEMBL25166562 0.79 ADRA2A (0.50) ADRA2AMAP3K14HTR1AADRA2BADRA1A
SCHEMBL14197670 0.79 ADRA2A (0.50) ADRA2AMAP3K14TERTJAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008151927-A2 6-N-SUBSTITUTED BENZ IMIDAZOLE DERIVATIVES AS ACID PUMP ANTAGONISTS NYCOMED GMBH (DE) 2008-12-18 WO disclosed
EP-1369490-B1 Method of preparing a composition containing hygromycin A and epi-hygromycin PFIZER PROD INC (US) 2006-02-08 EP disclosed
EP-1369490-A1 Method of preparing a composition containing hygromycin A and epi-hygromycin Pfizer Products Inc. (US) 2003-12-10 EP disclosed
EP-1075483-B1 HYGROMYCIN A DERIVATIVES PFIZER PROD INC (US) 2003-12-03 EP disclosed
US-6313100-B1 ANTIBACTERIAL, ANTIPROTOZOA AGENTS PFIZER INC 2001-11-06 US disclosed
EP-1075483-A2 HYGROMYCIN A DERIVATIVES Pfizer Products Inc. (US) 2001-02-14 EP disclosed
WO-1999057125-A2 HYGROMYCIN A DERIVATIVES PFIZER PRODUCTS INC. (US) 1999-11-11 WO disclosed