SCHEMBL9303967

SCHEMBL9303967

N=C(N)c1ccc2ccccc2c1NC(=O)c1ccccc1N=C(N)N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 3/20 0.43
PLG P00747 2/20 0.41
KLK1 P06870 2/20 0.41
KLK6 Q92876 2/20 0.41
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 1/20 0.38
RAD52 P43351 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
PLAU P00749 2/20 0.38
DEGS1 O15121 1/20 0.37
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

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
SCHEMBL9303327 0.81 RAB9A (0.44) NPC1RAB9APOLBMAPTPKM
SCHEMBL9303612 0.81 NPC1 (0.43) PLGKLK1NPC1RAB9APOLB
SCHEMBL9304147 0.81 DEGS1 (0.44) PLGNPC1RAB9APOLBMAPT
SCHEMBL9302787 0.81 PLAU (0.45) PLGKLK1KLK6NPC1RAB9A
SCHEMBL9303507 0.80 KDM4E (0.47) KCNJ11PLGKLK1KLK6NPC1
SCHEMBL9303218 0.79 PLAU (0.44) PLGKLK1NPC1RAB9AMAPT
SCHEMBL9303554 0.79 NPC1 (0.46) NPC1RAB9APOLBMAPTPLAU
SCHEMBL9303484 0.79 NPC1 (0.49) NPC1RAB9APOLBMAPTPLAU
SCHEMBL9303439 0.77 NPC1 (0.45) PLGKLK1NPC1RAB9APOLB
SCHEMBL9303538 0.77 DEGS1 (0.46) PLGKLK1NPC1RAB9APLAU

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