SCHEMBL8348273

SCHEMBL8348273

Cc1cc(-n2cc(C(=O)N=C(N)N)c3ccccc32)c2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 5/20 0.44
PIK3R2 O00459 1/20 0.43
SLC9A1 P19634 4/20 0.43
SLC9A2 Q9UBY0 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RORC P51449 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR5A P47898 1/20 0.39
NPFFR1 Q9GZQ6 1/20 0.39
NPFFR2 Q9Y5X5 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL6224003 0.83 PIK3R2 (0.39) NCF1PIK3R2MEN1KMT2ARORC
SCHEMBL4243255 0.81 NR4A2 (0.61) NCF1MEN1KMT2AL3MBTL1LMNA
SCHEMBL13855104 0.81 SLC9A1 (0.50) NCF1SLC9A1SLC9A2MEN1KMT2A
SCHEMBL4240199 0.81 L3MBTL1 (0.43) NCF1PIK3R2MEN1KMT2ARORC
SCHEMBL8346357 0.80 SLC9A1 (0.42) SLC9A1SLC9A2RORC
SCHEMBL8349128 0.77 SLC9A1 (0.49) SLC9A1SLC9A2MEN1KMT2A
SCHEMBL8337393 0.76 NCF1 (0.45) NCF1PIK3R2SLC9A1MEN1KMT2A
SCHEMBL8347963 0.76 SLC9A1 (0.42) SLC9A1SLC9A2
Trifluoroacetic Acid SCHEMBL4243180 0.76 PIK3R2 (0.41) NCF1PIK3R2MEN1KMT2ARORC
SCHEMBL13855106 0.76 SLC9A1 (0.43) SLC9A1SLC9A2

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-7638521-B2 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-12-29 US disclosed
US-7638521-B2 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-12-29 US disclosed
WO-2004007479-A1 3-GUANIDINOCARBONYL-1-HETEROARYL-INDOLE DERIVATIVES, PREPARATION PROCESS, THEIR USE AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-22 WO disclosed