SCHEMBL9565723

SCHEMBL9565723

NN=C(N)Nc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
PKM P14618 3/20 0.55
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
MEN1 O00255 4/20 0.47

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
SCHEMBL17620897 0.79 NPC1 (0.49) NPC1RAB9APKMADRA2AADRA2B
SCHEMBL2782158 0.79 NPC1 (0.49) NPC1RAB9APKMADRA2AADRA2B
SCHEMBL25857032 0.79 RAB9A (0.58) NPC1RAB9APKMADRA2AADRA2B
SCHEMBL525427 0.76 RAB9A (0.61) NPC1RAB9APKMGAASMN1; SMN2
SCHEMBL10793724 0.76 RAB9A (0.59) NPC1RAB9APKMGAASMN1; SMN2
SCHEMBL29399796 0.76 RAB9A (0.61) NPC1RAB9APKMGAASMN1; SMN2
SCHEMBL438214 0.76 RAB9A (0.70) NPC1RAB9APKMGAASMN1; SMN2
SCHEMBL2226467 0.76 RAB9A (0.59) NPC1RAB9APKMGAASMN1; SMN2
SCHEMBL1486005 0.76 NPC1 (0.63) NPC1RAB9APKMGAASMN1; SMN2
Hydrochloric Acid SCHEMBL31091390 0.74 RAB9A (0.59) NPC1RAB9APKMGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5211740-A Applying triazinyl sulfonylguanidine derivatives BAYER AKTIENGESELLSCHAFT (DE) 1993-05-18 US claimed
EP-0529292-A2 Substituted aralkylsulfonyl-aminoguanidinoazines as herbizides BAYER AG (DE) 1993-03-03 EP claimed
US-5092917-A HERBICIDAL AMINOGUANIDINOAZINES BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 US claimed
EP-0343462-B1 AMINOGUANIDINO AZINES BAYER AG (DE) 1991-12-11 EP claimed
EP-0414067-A2 Substituted arylsulfonyl-aminoguanidinoazine BAYER AG (DE) 1991-02-27 EP claimed
EP-0343462-A1 Aminoguanidino azines BAYER AG (DE) 1989-11-29 EP claimed
EP-0530616-A1 Pyrazolylsulfonylguanidino pyrimidines as herbicides BAYER AG (DE) 1993-03-10 EP disclosed
EP-0529292-A2 Substituted aralkylsulfonyl-aminoguanidinoazines as herbizides BAYER AG (DE) 1993-03-03 EP disclosed
EP-0343462-B1 AMINOGUANIDINO AZINES BAYER AG (DE) 1991-12-11 EP disclosed
EP-0343462-B1 AMINOGUANIDINO AZINES BAYER AG (DE) 1991-12-11 EP disclosed
EP-0431270-A1 Substituted sulfonylamidinohydrazones BAYER AG (DE) 1991-06-12 EP disclosed
EP-0414067-A2 Substituted arylsulfonyl-aminoguanidinoazine BAYER AG (DE) 1991-02-27 EP disclosed
EP-0343462-A1 Aminoguanidino azines BAYER AG (DE) 1989-11-29 EP disclosed
EP-0343462-A1 Aminoguanidino azines BAYER AG (DE) 1989-11-29 EP disclosed
EP-0302378-A2 Sulphonylaminoguanidino azines BAYER AG (DE) 1989-02-08 EP disclosed