SCHEMBL16631451

SCHEMBL16631451

CCc1cn(Cc2cn(Cc3ccccc3)nn2)c(=O)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.53
HPGD P15428 1/20 0.50
HRH4 Q9H3N8 1/20 0.48
AMY1A P0DUB6 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HSP90AB1 P08238 1/20 0.44
TYR P14679 1/20 0.43

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
SCHEMBL18081921 0.87 HPGD (0.69) CYP19A1HPGDHRH4AMY1A
SCHEMBL18080415 0.84 CYP19A1 (0.48) CYP19A1HPGDHRH4AMY1ANPC1
SCHEMBL7821405 0.83 HPGD (0.69) HPGD
SCHEMBL16631692 0.79 CYP19A1 (0.50) CYP19A1HRH4AMY1ANPC1RAB9A
SCHEMBL16631404 0.78 GRIN1 (0.41) HPGD
SCHEMBL18080377 0.77 CYP19A1 (0.48) CYP19A1HRH4AMY1ANPC1RAB9A
SCHEMBL15014123 0.76 CYP19A1 (0.76) CYP19A1HRH4NPC1RAB9AALDH1A1
SCHEMBL7833489 0.74 HPGD (0.64) HPGD
SCHEMBL16631915 0.74 KCNMA1 (0.55) CYP19A1HPGDHRH4AMY1ANPC1
SCHEMBL16631429 0.73 SIRT2 (0.40) CYP19A1

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