SCHEMBL8330401

SCHEMBL8330401

C=CCOC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.61
P2RY2 P41231 1/20 0.58
P2RY1 P47900 1/20 0.58
P2RY6 Q15077 1/20 0.58
DNPH1 O43598 2/20 0.57
PRMT5 O14744 1/20 0.55
WDR77 Q9BQA1 1/20 0.55
P2RX3 P56373 2/20 0.54
P2RX2 Q9UBL9 2/20 0.54
P2RX4 Q99571 1/20 0.54
BMPR1B O00238 1/20 0.53
NT5E P21589 1/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 2/20 0.53
RXFP1 Q9HBX9 2/20 0.53
TSHR P16473 2/20 0.53
ALDH1A1 P00352 1/20 0.53
GLA P06280 1/20 0.53
PMP22 Q01453 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL7203911 0.87 P2RY12 (0.62) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL14394700 0.86 P2RY12 (0.64) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL13902897 0.86 P2RY12 (0.64) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL6597269 0.85 P2RY12 (0.63) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL30666149 0.85 P2RY12 (0.81) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL17824398 0.85 P2RY12 (0.81) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL6597278 0.85 P2RY12 (0.63) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL17301042 0.85 LMNA (0.72) LMNAHTTRXFP1TSHRALDH1A1
SCHEMBL19485512 0.85 LMNA (0.72) LMNAHTTRXFP1TSHRALDH1A1
SCHEMBL21953578 0.85 LMNA (0.72) LMNAHTTRXFP1TSHRALDH1A1

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-1998035978-A9 AMINOOXY-MODIFIED OLIGONUCLEOTIDES 1999-01-14 WO disclosed