SCHEMBL8601238

SCHEMBL8601238

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(N)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.53
TRDMT1 O14717 1/20 0.46
PRMT5 O14744 3/20 0.46
WDR77 Q9BQA1 3/20 0.46
AHCY P23526 5/20 0.46
CARM1 Q86X55 1/20 0.45
TYMP P19971 1/20 0.44
NNMT P40261 1/20 0.44
ADORA2B P29275 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.43

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
SCHEMBL5580213 0.90 ADORA1 (0.57) ADORA1TRDMT1PRMT5WDR77AHCY
SCHEMBL8602348 0.85 TYMP (0.48) TYMP
SCHEMBL1068356 0.82 ADORA1 (0.54) ADORA1TRDMT1PRMT5WDR77AHCY
SCHEMBL6394670 0.81 ADORA1 (0.48) ADORA1TRDMT1PRMT5WDR77CARM1
SCHEMBL8388204 0.81 ADORA1 (0.47) ADORA1TRDMT1AHCYCARM1TYMP
SCHEMBL2111739 0.81 TYMP (0.48) ADORA1PRMT5WDR77TYMPADORA2B
SCHEMBL9096320 0.80 TYMP (0.56) ADORA1PRMT5WDR77TYMPADORA2B
SCHEMBL5580212 0.80 ADORA1 (0.55) ADORA1PRMT5WDR77AHCYNNMT
SCHEMBL1499972 0.80 ADORA1 (0.47) ADORA1TRDMT1PRMT5WDR77AHCY
SCHEMBL8433551 0.79 ADORA1 (0.51) ADORA1TRDMT1AHCYCARM1TYMP

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
US-5707603-A Pyridine complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions NYCOMED IMAGING AS (NO) 1998-01-13 US disclosed
EP-0691981-A1 TUMOR TARGETING WITH L-ENANTIOMERIC OLIGONUCLEOTIDE CONJUGATES OF IMMUNOREAGENTS AND OF CHELATED RADIONUCLIDES THE WELLCOME FOUNDATION LIMITED (GB) 1996-01-17 EP disclosed
EP-0639083-A1 COMPLEXING AGENTS AND TARGETING IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 1995-02-22 EP disclosed
WO-1994020523-A1 TUMOR TARGETING WITH L-ENANTIOMERIC OLIGONUCLEOTIDE CONJUGATES OF IMMUNOREAGENTS AND OF CHELATED RADIONUCLIDES THE WELLCOME FOUNDATION LIMITED (GB) 1994-09-15 WO disclosed
WO-1993021957-A1 COMPLEXING AGENTS AND TARGETING IMMUNOREAGENTS STERLING WINTHROP INC. (US) 1993-11-11 WO disclosed