SCHEMBL5354472

SCHEMBL5354472

COc1ccccc1C(c1ccccc1)(c1ccccc1OC)C(O)[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C[C@@H]1O.NP(O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.41
PRMT6 Q96LA8 1/20 0.37
P2RY12 Q9H244 2/20 0.37
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
P2RY2 P41231 1/20 0.35
P2RY1 P47900 1/20 0.35
P2RY6 Q15077 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35

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
SCHEMBL888000 0.97 ADORA3 (0.43) ADORA3PRMT6P2RY12ADORA2AADORA1
SCHEMBL7873199 0.90 PRMT6 (0.40) ADORA3PRMT6P2RY12ADORA2AADORA1
SCHEMBL888001 0.88 ADORA3 (0.45) ADORA3P2RY12ADORA2AADORA1
SCHEMBL2112346 0.86 ADORA3 (0.43) ADORA3P2RY12ADORA2AADORA1
SCHEMBL2112012 0.84 ADORA3 (0.43) ADORA3PRMT6P2RY12
SCHEMBL439195 0.84 PRMT5 (0.45) ADORA3P2RY12ADORA2A
SCHEMBL9015823 0.84 ADORA1 (0.44) ADORA1P2RY1
SCHEMBL9773291 0.83 ADORA3 (0.40) ADORA3ADORA2AADORA1
SCHEMBL15954504 0.83 TYMP (0.38) ADORA3ADORA1
SCHEMBL7523809 0.83 PRMT5 (0.45) ADORA3P2RY12ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7252938-B2 Methods and devices for producing a polymer at a location of a substrate AGILENT TECHNOLOGIES, INC. (US) 2007-08-07 US disclosed
US-7070932-B2 Methods and devices for detecting printhead misalignment of an in situ polymeric array synthesis device AGILENT TECHNOLOGIES, INC. (US) 2006-07-04 US disclosed
US-20040170984-A1 Methods and devices for detecting printhead misalignment of an in situ polymeric array synthesis device AGILENT TECHNOLOGIES, INC. 2004-09-02 US disclosed
US-20040166496-A1 Methods and devices for producing a polymer at a location of a substrate AGILENT TECHNOLOGIES, INC. 2004-08-26 US disclosed
US-20020034830-A1 Method for synthesizing a specific, surface-bound polymer uniformly over an element of a molecular array EARHART JONATHAN P (US) 2002-03-21 US disclosed
US-6300137-B1 APPLYING CAPPING AGENT TO THE SUBSTRATE TO DEACTIVATE ANY UNREACTED DEPROTECTED BOUND OLIGONUCLEOTIDE, 5'-PROTECTED NUCLEOSIDE PHOSPHORAMIDITES ARE APPLIED IN DROPLETS HAVING COVERING VOLUMES TO FULLY COVER THE FIRST DROPLET; ACCURACY AGILENT TECHNOLOGIES INC. 2001-10-09 US disclosed