SCHEMBL8337393

SCHEMBL8337393

Cc1cc(-n2ccc(C(=O)N=C(N)N)c2)c2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 5/20 0.45
HTR5A P47898 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
PIK3R2 O00459 1/20 0.40
NPFFR1 Q9GZQ6 1/20 0.40
NPFFR2 Q9Y5X5 1/20 0.40
SLC9A1 P19634 1/20 0.39
MAPT P10636 1/20 0.39
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8339628 0.80 SLC9A1 (0.46) NCF1ADRB2SLC9A1
SCHEMBL6081552 0.80 NCF1 (0.43) NCF1MEN1KMT2AADRB2ADRB1
SCHEMBL8348273 0.76 NCF1 (0.44) NCF1HTR5AMEN1KMT2AADRB2
SCHEMBL14098939 0.71 NCF1 (0.59) NCF1MEN1KMT2AADRB2ADRB1
SCHEMBL6183790 0.71 NCF1 (0.37) NCF1MEN1KMT2APIK3R2MAPT
SCHEMBL8340484 0.71 COMT (0.55) NCF1SLC9A1MAPT
SCHEMBL8336852 0.70 MEN1 (0.46) NCF1MEN1KMT2AADRB2MAPT
SCHEMBL8338997 0.67 HTR5A (0.41) HTR5ASLC9A1MAPK1L3MBTL1
SCHEMBL8339462 0.67 HTR5A (0.44) HTR5ASLC9A1
SCHEMBL6082840 0.67 NR4A2 (0.41) MEN1KMT2ALMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004007478-A2 DERIVATIVES OF 3-GUANIDINOCARBONYL-1-HETEROARYL-PYRROLE, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-22 WO disclosed