SCHEMBL16631686

SCHEMBL16631686

CCn1cc(Cc2c[nH]nn2)c(=O)[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.35
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE4A P27815 1/20 0.33
ADORA2A P29274 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
GNRHR P30968 2/20 0.32
HTR2A P28223 1/20 0.32
BRD4 O60885 2/20 0.32
BRD2 P25440 2/20 0.32
BRD3 Q15059 2/20 0.32
BRDT Q58F21 2/20 0.32

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
SCHEMBL18081925 0.84 MAPK1 (0.31) UPP1MAPK1
SCHEMBL18080360 0.81 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL23957853 0.76 MAPK1 (0.43) UPP1MAPK1SMN1; SMN2PDE4AADORA2A
SCHEMBL17379726 0.72 UPP1 (0.41) UPP1MAPK1SMN1; SMN2
SCHEMBL16631396 0.71 MAPK1 (0.55) MAPK1
SCHEMBL18080406 0.68 MAPK1 (0.35) MAPK1
SCHEMBL2183944 0.66 MAPK1 (0.61) MAPK1SMN1; SMN2
SCHEMBL16631688 0.65
SCHEMBL18081774 0.65 AMY1A (0.33) PDE4AADORA2APDE4BPDE4CPDE4D
Ammonia Solution, Strong SCHEMBL4194711 0.64 MAPK1 (0.59) MAPK1SMN1; SMN2

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