SCHEMBL8718545

SCHEMBL8718545

COc1ccc(C(OC[C@H]2O[C@@H](n3c(Br)nc4c(N)ncnc43)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
TYMP P19971 3/20 0.47
TRPM2 O94759 1/20 0.46
SLC28A2 O43868 2/20 0.41
ADORA1 P30542 2/20 0.41
PRMT5 O14744 3/20 0.41
NADK O95544 1/20 0.40
METTL3 Q86U44 2/20 0.40
HSPA5 P11021 1/20 0.40
ATG7 O95352 4/20 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
SCHEMBL6757110 0.89 TYMP (0.49) ADORA3ADORA2ATYMPTRPM2SLC28A2
SCHEMBL14233967 0.87 ADORA3 (0.45) ADORA3ADORA2ATYMPTRPM2SLC28A2
SCHEMBL6710679 0.86 TYMP (0.43) ADORA3ADORA2ATYMPTRPM2ADORA1
SCHEMBL6710681 0.86 TYMP (0.43) ADORA3ADORA2ATYMPTRPM2ADORA1
SCHEMBL1774838 0.85 TYMP (0.63) TYMPADORA1
SCHEMBL29574745 0.85 TYMP (0.63) TYMPADORA1
SCHEMBL1774839 0.85 TYMP (0.63) TYMPADORA1
SCHEMBL7871248 0.85 TYMP (0.63) TYMPADORA1
SCHEMBL29529385 0.85 TYMP (0.63) TYMPADORA1
SCHEMBL3658621 0.84 TYMP (0.48) ADORA3ADORA2ATYMPADORA1ATG7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0600965-B1 PRIMERS FOR THE MATRIX-DEPENDANT, ENZYMATIC SYNTHESIS OF NUCLEIC ACIDS BOEHRINGER MANNHEIM GMBH (DE) 1998-02-18 EP disclosed
US-5574141-A POLYMERASE CHAIN REACTION BOEHRINGER MANNHEIM GMBH (DE) 1996-11-12 US disclosed