SCHEMBL17690236

SCHEMBL17690236

S=C=Nc1ccc(C2=NNNN2)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 2/20 0.40
MIF P14174 1/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ADORA2B P29275 2/20 0.32
HSD17B10 Q99714 1/20 0.32
PNMT P11086 1/20 0.31
AGTR1 P30556 1/20 0.30
AGTR2 P50052 1/20 0.30

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
SCHEMBL1548531 0.72 MIF (0.62) P2RY6MIFCA1CA2ADORA2B
SCHEMBL19403602 0.70 ALDH1A1 (0.42) HSD17B10AGTR1AGTR2
Bitoscanate SCHEMBL157128 0.69 MIF (0.72) P2RY6MIFCA1CA2HSD17B10
SCHEMBL22064853 0.66 MIF (0.54) P2RY6MIFCA1CA2ADORA2B
SCHEMBL5725177 0.66 P2RY6 (0.48) P2RY6MIFCA1CA2ADORA2B
SCHEMBL3414004 0.65 MIF (0.73) P2RY6MIFCA1CA2HSD17B10
SCHEMBL21993644 0.65 MIF (0.73) P2RY6MIFCA1CA2HSD17B10
SCHEMBL21027661 0.63 P2RY6 (0.50) P2RY6MIFCA1CA2ADORA2B
SCHEMBL21387144 0.63 ESR1 (0.50) P2RY6MIFCA1CA2HSD17B10
SCHEMBL12011022 0.63 P2RY6 (0.50) P2RY6MIFCA1CA2ADORA2B

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
EP-2492262-B1 FUSED HETEROCYCLIC COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL IND LTD (JP) 2016-04-20 EP disclosed