SCHEMBL9303327

SCHEMBL9303327

N=C(N)c1c(NC(=O)c2ccccc2N=C(N)N)ccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
GFER P55789 1/20 0.41
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39

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
SCHEMBL9303612 0.82 NPC1 (0.43) RAB9ANPC1GFERKDM4EMAPT
SCHEMBL9303967 0.81 KCNJ11 (0.43) RAB9ANPC1GFERKDM4EMAPT
SCHEMBL9302926 0.81 RAB9A (0.50) RAB9ANPC1GFERKDM4EMAPT
SCHEMBL9303439 0.81 NPC1 (0.45) RAB9ANPC1KDM4EMAPTGAA
SCHEMBL9303532 0.80 PLAU (0.57) RAB9ANPC1CHRNB2CHRNB4CHRNA3
SCHEMBL9303218 0.80 PLAU (0.44) RAB9ANPC1GFERKDM4EMAPT
SCHEMBL9303484 0.80 NPC1 (0.49) RAB9ANPC1KDM4EMAPTGAA
SCHEMBL9303554 0.80 NPC1 (0.46) RAB9ANPC1KDM4EMAPTGAA
SCHEMBL9302787 0.77 PLAU (0.45) RAB9ANPC1MEN1KMT2APLAU
SCHEMBL9304147 0.77 DEGS1 (0.44) RAB9ANPC1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5352704-A Antiviral agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-10-04 US disclosed
EP-0434432-B1 Guanidinobenzene derivatives BANYU PHARMA CO LTD (JP) 1994-05-04 EP disclosed
EP-0434432-A1 Guanidinobenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-06-26 EP disclosed