SCHEMBL7216561

SCHEMBL7216561

CCOC(=O)c1c(-c2ccccc2)nc(-c2ccccc2)[nH]c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.60
USP2 O75604 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HPGDS O60760 1/20 0.50
CSF1R P07333 1/20 0.49
ERCC1 P07992 1/20 0.49
FEN1 P39748 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
SCHEMBL6215331 0.86 ADORA3 (0.56) ADORA3SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL4468878 0.83 CSF1R (0.55) ADORA3USP2TSHRMAPK1HSD17B10
SCHEMBL6258083 0.82 ADORA3 (0.53) ADORA3USP2TSHRMAPK1HSD17B10
SCHEMBL8762855 0.82 HSD17B10 (0.52) ADORA3USP2TSHRMAPK1HSD17B10
SCHEMBL22372656 0.80 POLB (0.62) USP2HSD17B10POLBSMN1; SMN2ALDH1A1
SCHEMBL24494785 0.80 ADORA2B (0.66) ADORA3MAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL15592594 0.78 HSD17B10 (0.56) USP2TSHRMAPK1HSD17B10POLB
SCHEMBL28199488 0.76 ADORA3 (0.76) ADORA3MAPK1HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL8026733 0.75 SIRT2 (0.56) USP2TSHRMAPK1HSD17B10POLB
SCHEMBL8042850 0.75 ALDH1A1 (0.47) ADORA3USP2TSHRMAPK1HSD17B10

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-1036794-B1 2-ARYL-8-OXODIHYDROPURINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME, AND INTERMEDIATES THEREOF DAINIPPON PHARMACEUTICAL CO (JP) 2003-08-27 EP disclosed
US-6372740-B1 NERVOUS SYSTEM DISORDERS, ANTIEPILEPTIC AGENTS AND ANTIDEPRESSANTS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2002-04-16 US disclosed
EP-1036794-A1 2-ARYL-8-OXODIHYDROPURINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME, AND INTERMEDIATES THEREOF Dainippon Pharmaceutical Co., Ltd. (JP) 2000-09-20 EP disclosed