SCHEMBL6887666

SCHEMBL6887666

OC(Br)[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 10/20 0.56
▸ TP53 P04637 1/20 0.56
▸ SLC29A1 Q99808 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ TSHR P16473 1/20 0.53
▸ DNPH1 O43598 1/20 0.52
▸ NT5E P21589 1/20 0.49
▸ P2RX3 P56373 1/20 0.49
▸ P2RX2 Q9UBL9 1/20 0.49

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
SCHEMBL6890685 0.86 ADORA3 (0.63) ADORA3TP53SLC29A1TDP1TSHR
SCHEMBL6890018 0.85 ADORA3 (0.72) ADORA3TP53SLC29A1TDP1TSHR
SCHEMBL6889275 0.77 ADORA3 (0.52) ADORA3TP53SLC29A1TDP1TSHR
SCHEMBL918591 0.74 ADORA3 (0.69) ADORA3TP53SLC29A1TDP1TSHR
SCHEMBL6890037 0.74 ADORA3 (0.49) ADORA3TP53SLC29A1TDP1TSHR
SCHEMBL9352971 0.73 ADORA3 (0.81) ADORA3TP53SLC29A1TDP1TSHR
SCHEMBL9352988 0.73 ADORA3 (0.81) ADORA3TP53SLC29A1TDP1TSHR
SCHEMBL918127 0.73 ADORA3 (0.55) ADORA3TP53SLC29A1TDP1TSHR
SCHEMBL20491589 0.73 ADORA3 (0.78) ADORA3TP53SLC29A1TDP1TSHR
SCHEMBL27437734 0.73 ADORA3 (0.76) ADORA3TP53SLC29A1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0956000-A4 SYNTHESIS OF GLYCOPHOSPHOLIPID AND PEPTIDE-PHOSPHOLIPID CONJUGATES AND USES THEREOF UNIV EMORY (US) 2004-06-09 — — EP disclosed
EP-0956000-A1 SYNTHESIS OF GLYCOPHOSPHOLIPID AND PEPTIDE-PHOSPHOLIPID CONJUGATES AND USES THEREOF EMORY UNIVERSITY (US) 1999-11-17 — — EP disclosed
WO-1998016198-A1 SYNTHESIS OF GLYCOPHOSPHOLIPID AND PEPTIDE-PHOSPHOLIPID CONJUGATES AND USES THEREOF EMORY UNIVERSITY (US) 1998-04-23 — — WO disclosed
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