SCHEMBL9303507

SCHEMBL9303507

N=C(N)Nc1ccccc1C(=O)Nc1c(C(=N)N)ccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
KCNJ11 Q14654 2/20 0.44
GAA P10253 5/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
GFER P55789 1/20 0.43
PLG P00747 2/20 0.42
KLK1 P06870 2/20 0.42
KLK6 Q92876 2/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
PPARG P37231 1/20 0.42
DEGS1 O15121 1/20 0.42
MEN1 O00255 3/20 0.41

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
SCHEMBL9302926 0.82 RAB9A (0.50) KDM4ESMN1; SMN2NPC1RAB9APOLB
SCHEMBL9302237 0.81 F10 (0.49) KDM4ESMN1; SMN2NPC1RAB9APOLB
SCHEMBL9303104 0.81 NPC1 (0.49) KDM4ESMN1; SMN2NPC1RAB9APOLB
SCHEMBL9303908 0.81 PLG (0.48) KCNJ11PLGKLK1KLK6
SCHEMBL9303445 0.80 NPC1 (0.54) KDM4ESMN1; SMN2NPC1RAB9APOLB
SCHEMBL9303967 0.80 KCNJ11 (0.43) KDM4ESMN1; SMN2NPC1RAB9APOLB
SCHEMBL9302799 0.80 RXFP1 (0.50) KDM4ESMN1; SMN2NPC1RAB9APOLB
SCHEMBL9302832 0.80 RXFP1 (0.50) KDM4ESMN1; SMN2NPC1RAB9APOLB
SCHEMBL9302810 0.78 NPC1 (0.49) KDM4ESMN1; SMN2NPC1RAB9APOLB
SCHEMBL9303221 0.78 NPC1 (0.46) KDM4ESMN1; SMN2NPC1RAB9APOLB

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