SCHEMBL7230462

SCHEMBL7230462

COc1ccnc(CC(C)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.56
NOS2 P35228 6/20 0.56
NOS3 P29474 4/20 0.56
CCR1 P32246 1/20 0.48
CCR5 P51681 1/20 0.48
CCR8 P51685 1/20 0.48
PLAU P00749 1/20 0.46
RIOK2 Q9BVS4 3/20 0.44
KDM4E B2RXH2 4/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GSK3A P49840 1/20 0.43
MAPK10 P53779 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL15743142 0.86 NOS3 (0.56) NOS1NOS2NOS3CCR1CCR5
SCHEMBL28737279 0.85 NOS3 (0.54) NOS1NOS2NOS3CCR1CCR5
SCHEMBL15709975 0.85 NOS3 (0.54) NOS1NOS2NOS3CCR1CCR5
SCHEMBL17115680 0.85 KDM4E (0.44) NOS1NOS2NOS3KDM4ENPSR1
SCHEMBL7229439 0.83 POLB (0.54) NOS1NOS2NOS3KDM4EMAPK1
SCHEMBL27037928 0.81 NOS3 (0.50) NOS1NOS2NOS3CCR1CCR5
SCHEMBL9814691 0.80 NOS1 (0.53) NOS1NOS2NOS3CCR1CCR5
SCHEMBL21450874 0.79 NOS2 (0.56) NOS1NOS2NOS3CCR1CCR5
SCHEMBL17801972 0.79 NOS3 (0.51) NOS1NOS2NOS3NPSR1MTNR1A
SCHEMBL25199502 0.79 WDR5 (0.48) NOS1NOS2NOS3RIOK2NPSR1

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
CN-1666140-A Polymer substrate for displays and light emitters GEN ELECTRIC (US) 2005-09-07 CN claimed
CN-1236410-C Multi colour display device UNIV PRINCETON (US) 2006-01-11 CN disclosed
CN-1666140-A Polymer substrate for displays and light emitters GEN ELECTRIC (US) 2005-09-07 CN disclosed
US-6521643-B1 Prevention and/or treatment of nitric oxide synthasey medi-ated diseases such as adult respiratory distress syndrome, myocarditis, synovitis, septic shock, diabetes, ulcerative colitis, cerebral infarction, osteoarthritis FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-18 US disclosed
EP-1157022-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-28 EP disclosed
CN-1293425-A Multi colour display device UNIV PRINCETON (US) 2001-05-02 CN disclosed
WO-2000049015-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-24 WO disclosed