SCHEMBL15045875

SCHEMBL15045875

NC1=NC2C(N=CN2N)C(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 2/20 0.42
PDE2A O00408 8/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HBB P68871 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31

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
SCHEMBL14001854 0.81 STING1 (0.41) STING1PDE2ATAS1R3TAS1R1
SCHEMBL15257768 0.78 PDE2A (0.44) STING1PDE2ATAS1R3TAS1R1
SCHEMBL19370325 0.78 STING1 (0.39) STING1PDE2ATAS1R3TAS1R1
SCHEMBL18870640 0.73 STING1 (0.36) STING1PDE2A
SCHEMBL12594003 0.70 PDE2A (0.37) STING1PDE2AHBBHSD17B10TAS1R3
SCHEMBL16127107 0.70 PDE2A (0.40) STING1PDE2ATAS1R3TAS1R1
SCHEMBL17928575 0.69 STING1 (0.32) STING1
SCHEMBL18858878 0.69 STING1 (0.34) STING1PDE2A
SCHEMBL14185047 0.69 PDE2A (0.43) STING1PDE2AALDH1A1
SCHEMBL16125297 0.68 PDE2A (0.36) STING1PDE2A

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-2013090420-A2 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-06-20 WO disclosed