SCHEMBL27839

SCHEMBL27839

COP(OC1C[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1CO)N(C(C)C)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.43
POLB P06746 1/20 0.42
PRMT6 Q96LA8 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40
HIF1A Q16665 1/20 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
SCHEMBL25504694 0.90 ADORA1 (0.41) ADORA1POLBPRMT6KDM4E
SCHEMBL18848394 0.90 P2RY12 (0.41) ADORA1
SCHEMBL18848392 0.90 ADORA1 (0.39) ADORA1POLBPRMT6ADORA3ADORA2A
SCHEMBL31629565 0.87 POLB (0.49) ADORA1POLB
SCHEMBL25505318 0.85 PRMT6 (0.39) ADORA1PRMT6
SCHEMBL12582481 0.85 PRMT6 (0.38) ADORA1PRMT6ADORA3
SCHEMBL25748695 0.84 PRMT6 (0.47) ADORA1PRMT6ADORA3ADORA2AADORA2B
SCHEMBL20534948 0.84 POLB (0.51) ADORA1POLBPRMT6
SCHEMBL11049246 0.84 POLB (0.51) ADORA1POLBPRMT6
SCHEMBL19519648 0.83 POLB (0.61) ADORA1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012024776-A1 BLOCK SYNTHESIS OF OLIGORIBONUCLEOTIDES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2012-03-01 WO disclosed