SCHEMBL7916601

SCHEMBL7916601

C=C(N=C(N)N)c1ccc2cccc(-c3cccc4ccncc34)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.43
KDM4E B2RXH2 3/20 0.36
HTT P42858 2/20 0.36
HIPK2 Q9H2X6 1/20 0.36
PLAU P00749 4/20 0.35
PLG P00747 3/20 0.35
F2 P00734 2/20 0.35
PLAT P00750 2/20 0.35
KLK1 P06870 2/20 0.35
PRSS1 P07477 2/20 0.35
HTR2C P28335 2/20 0.34
HDAC6 Q9UBN7 1/20 0.33
SLC9A1 P19634 1/20 0.33
MELK Q14680 2/20 0.32
MAPK1 P28482 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32
HTR5A P47898 1/20 0.32
POLB P06746 1/20 0.32
RAD52 P43351 1/20 0.32
ROCK2 O75116 1/20 0.32

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
SCHEMBL16502832 0.85 SLC9A1 (0.49) TNFHIPK2HTR2CSLC9A1HTR5A
SCHEMBL7919781 0.81 TNF (0.54) TNFKDM4EHIPK2HTR2CHDAC6
SCHEMBL7919941 0.81 PLAU (0.41) KDM4EPLAUPLGF2PLAT
SCHEMBL7923307 0.80 CHEK1 (0.35) PLAUPLGF2PLATKLK1
SCHEMBL7918227 0.77 SLC9A1 (0.48) HTR2CSLC9A1HTR5A
SCHEMBL7915669 0.76 HTR5A (0.41) PLAUPLGF2PLATKLK1
SCHEMBL16502698 0.76 TNF (0.54) TNFHIPK2PLAU
SCHEMBL7919998 0.74 HTR5A (0.51) HTR2CSLC9A1HTR5A
SCHEMBL7918261 0.74 HTR5A (0.48) HTR2CSLC9A1HTR5A
SCHEMBL16502744 0.74 HTR5A (0.51) SLC9A1HTR5A

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-2010090304-A1 ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-12 WO disclosed