SCHEMBL9079752

SCHEMBL9079752

Nc1nc2cccc3c2n1CC3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
PRMT5 O14744 1/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
NOS2 P35228 1/20 0.35
TLR8 Q9NR97 1/20 0.35
HTR1A P08908 2/20 0.33
ROCK1 Q13464 1/20 0.33
GSK3A P49840 1/20 0.33

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
SCHEMBL9078237 0.90 NPC1 (0.56) NPC1MAPTRAB9APRMT5MEN1
SCHEMBL979553 0.71 HTR2A (0.40) PRMT5KMT2ANOS2TLR8MCL1
SCHEMBL9203904 0.69 DRD2 (0.56) PRMT5HTR1A
SCHEMBL18628737 0.69 NPC1 (0.50) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL10633577 0.69 NPC1 (0.50) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL5057519 0.69 NPC1 (0.50) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL7424856 0.69 NPC1 (0.50) NPC1MAPTRAB9APRMT5MEN1
Hydrochloric Acid SCHEMBL7164365 0.66 PARP1 (0.69)
SCHEMBL4947911 0.66 NPC1 (0.60) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL8548519 0.66 MAPT (0.47) NPC1MAPTRAB9AMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5512590-A PREVENTS DISORDER OF GABAERGIC TRANSMISSION SYNTHELABO (FR) 1996-04-30 US disclosed
EP-0682025-A1 5,6-dihydro-4H-imidazo 2',1':2,3 imidazo 4,5,1-ij quinoline and 4,5-dihydroimidazo 1,2-a pyrrolo 1,2,3-cd benzimidazol derivatives SYNTHELABO (FR) 1995-11-15 EP disclosed