SCHEMBL16631483

SCHEMBL16631483

CCn1cc(-n2cc(C(C)C)nn2)c(=O)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
PDE4A P27815 1/20 0.32
ADORA2A P29274 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
NOTUM Q6P988 1/20 0.32
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31
BRDT Q58F21 1/20 0.31
TYMP P19971 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
MAPK1 P28482 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
SCHEMBL18081752 0.83 EGLN2 (0.39) EGLN2HTTNOTUM
SCHEMBL18080381 0.82 EGLN2 (0.38) EGLN2
SCHEMBL16631319 0.80 CA9 (0.38) SMN1; SMN2PDE4AADORA2APDE4BPDE4C
SCHEMBL16631423 0.71 PYGM (0.55)
SCHEMBL13384443 0.71 SMN1; SMN2 (0.40) SMN1; SMN2HTTPDE4AADORA2APDE4B
SCHEMBL16631711 0.70 TK1 (0.33) EGLN2HTTMAPK1
SCHEMBL18081935 0.69 MAPK1 (0.43) TYMPMAPK1
SCHEMBL18080420 0.69 TYMP (0.32) EGLN2HTTTYMP
SCHEMBL18080383 0.69 CA12 (0.34) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL18081899 0.66 CA9 (0.35) PDE4AADORA2APDE4BPDE4CPDE4D

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-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed