SCHEMBL6181561

SCHEMBL6181561

c1cc(-c2nccnn2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
NOTUM Q6P988 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 3/20 0.38
CYP19A1 P11511 2/20 0.38
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGDS O60760 1/20 0.36
POLB P06746 1/20 0.36
DDAH1 O94760 1/20 0.35
NOS1 P29475 1/20 0.35

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
SCHEMBL19435586 0.87 CLK4 (0.38) MAPTTP53PKMSMN1; SMN2NPC1
SCHEMBL14656056 0.81 NPC1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6484311 0.81 NPC1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30186716 0.81 NPC1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2500804 0.79 KMT2A (0.47) MAPTLMNATP53NOTUMSMN1; SMN2
SCHEMBL969568 0.77
SCHEMBL10731993 0.77 MAPT (0.46) MAPTPKMNOTUMSMN1; SMN2NPC1
SCHEMBL4303322 0.77 MEN1 (0.56) MAPTTP53PKMSMN1; SMN2NPC1
SCHEMBL29522058 0.76
SCHEMBL5553224 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020165310-A1 PYRIDINIUM COMPOUNDS AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 WO disclosed
WO-2020161162-A1 HERBICIDAL PYRIDINIUM COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 WO disclosed
WO-2020161162-A1 HERBICIDAL PYRIDINIUM COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 WO disclosed
CN-1199947-C Process for preparing pyridine derivatives SANKIO CHEMICAL CO LTD (JP) 2005-05-04 CN disclosed
EP-1243579-B1 PROCESS FOR THE PRODUCTION OF PYRIDINE DERIVATIVES SANKIO CHEMICAL CO LTD (JP) 2005-01-26 EP disclosed
CN-1402708-A Process for production of pyridine derivs. SANKIO CHEMICAL CO LTD (JP) 2003-03-12 CN disclosed
US-6509469-B1 Reacting 1,2,4-triazine compound with vinyl carboxylate SANKIO CHEMICAL CO., LTD. (JP) 2003-01-21 US disclosed
EP-1243579-A1 PROCESS FOR THE PRODUCTION OF PYRIDINE DERIVATIVES Sankio Chemical Co., Ltd. (JP) 2002-09-25 EP disclosed