SCHEMBL11021119

SCHEMBL11021119

COCCOc1cccc2cc(C#N)c(=O)oc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.47
GPR35 Q9HC97 3/20 0.46
ADORA3 P0DMS8 6/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
GLA P06280 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
2-Methoxyethanol SCHEMBL11144253 0.94 CNR2 (0.45) CNR2GPR35ADORA3CA12CA1
SCHEMBL11153000 0.89 CNR2 (0.50) CNR2GPR35ADORA3CA12CA1
SCHEMBL11018894 0.88 ADORA3 (0.49) CNR2GPR35ADORA3CA12CA1
SCHEMBL11150783 0.88 CNR2 (0.57) CNR2GPR35ADORA3CA12CA1
SCHEMBL11020844 0.87 CNR2 (0.47) CNR2GPR35ADORA3CA12CA1
SCHEMBL11020606 0.87 CA12 (0.51) CNR2GPR35ADORA3CA12CA1
SCHEMBL11023658 0.87 CA12 (0.48) CNR2GPR35ADORA3CA12CA1
SCHEMBL11020681 0.86 ADORA3 (0.47) CNR2GPR35ADORA3CA12CA1
SCHEMBL11154728 0.86 CNR2 (0.54) CNR2GPR35ADORA3CA12CA1
SCHEMBL11152052 0.86 ADORA3 (0.61) ADORA3CA12CA1CA2CA9

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-0039913-B1 TETRAZOLYLCOUMARIN DERIVATIVES, PROCESS FOR PREPARING THE SAME AND COMPOSITION CONTAINING THE SAME Kaken Pharmaceutical Co., Ltd. (JP) 1985-01-23 EP disclosed
US-4406908-A Tetrazolylcoumarin derivatives and antiallergic compositions containing the same KAKENYAKU KAKO CO., LTD. (JP) 1983-09-27 US disclosed
EP-0039913-A1 Tetrazolylcoumarin derivatives, process for preparing the same and composition containing the same Kaken Pharmaceutical Co., Ltd. (JP) 1981-11-18 EP disclosed