SCHEMBL6597269

SCHEMBL6597269

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.63
DNPH1 O43598 2/20 0.60
P2RY2 P41231 1/20 0.60
P2RY1 P47900 1/20 0.60
P2RY6 Q15077 1/20 0.60
BMPR1B O00238 1/20 0.57
P2RX3 P56373 1/20 0.56
P2RX4 Q99571 1/20 0.56
P2RX2 Q9UBL9 1/20 0.56
ADORA1 P30542 1/20 0.56
NT5E P21589 1/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 1/20 0.55
GLA P06280 1/20 0.55
PMP22 Q01453 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPC1 O15118 1/20 0.55
NPY1R P25929 1/20 0.55
HTT P42858 1/20 0.55
NPY2R P49146 1/20 0.55

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
SCHEMBL6597278 1.00 P2RY12 (0.63) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL13902897 0.92 P2RY12 (0.64) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL14394700 0.92 P2RY12 (0.64) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL26347621 0.88 BMPR1B (0.62) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL11992626 0.88 BMPR1B (0.62) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL17014896 0.88 BMPR1B (0.62) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL7203911 0.88 P2RY12 (0.62) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL30666149 0.88 P2RY12 (0.81) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL17824398 0.88 P2RY12 (0.81) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL8905007 0.87 PRKAB2 (0.67) P2RY12DNPH1P2RY2P2RY1P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140038181-A1 CHEMICALLY SUBSTITUTED THERMOSENSITIVE PROBES AND COFACTORS FOR HOT START LIGATION TRILINK BIOTECHNOLOGIES, INC. 2014-02-06 US disclosed
EP-0815114-B1 NUCLEIC ACID SYNTHESIS USING PHOTOREMOVABLE PROTECTING GROUPS UNIV DUKE (US) 2004-05-12 EP disclosed
US-5908926-A 5'to 3' nucleic acid synthesis using 3'-photoremovable protecting group DUKE UNIVERSITY (US) 1999-06-01 US disclosed
EP-0815114-A4 NUCLEIC ACID SYNTHESIS USING PHOTOREMOVABLE PROTECTING GROUPS UNIV DUKE (US) 1999-02-24 EP disclosed
EP-0815114-A1 NUCLEIC ACID SYNTHESIS USING PHOTOREMOVABLE PROTECTING GROUPS DUKE UNIVERSITY (US) 1998-01-07 EP disclosed
WO-1996028457-A1 NUCLEIC ACID SYNTHESIS USING PHOTOREMOVABLE PROTECTING GROUPS DUKE UNIVERSITY (US) 1996-09-19 WO disclosed