SCHEMBL7911041

SCHEMBL7911041

C/C=C(\N=C(N)N)c1ccc2cccc(-c3ncccc3C#N)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
PLAT P00750 1/20 0.35
KLK1 P06870 1/20 0.35
PRSS1 P07477 1/20 0.35
SLC9A1 P19634 2/20 0.34
PDE4B Q07343 1/20 0.34
F10 P00742 1/20 0.34
HDAC1 Q13547 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
ADORA2A P29274 3/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31
GABRA1 P14867 2/20 0.31
GABRG2 P18507 2/20 0.31

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
SCHEMBL16509476 0.85 HTR5A (0.43) SLC9A1HDAC1HTR5A
SCHEMBL16509458 0.78 SLC22A12 (0.44) PLAUHDAC1TRPV1KDM4EMAPT
SCHEMBL7913890 0.78 KDM4E (0.38) F2PLGPLAUPLATKLK1
SCHEMBL7920242 0.77 ALOX15 (0.49) PLAUPDE4BF10HDAC1TRPV1
SCHEMBL16502816 0.71 HTR5A (0.51) SLC9A1HTR5A
SCHEMBL7919099 0.71 HTR5A (0.36) SLC9A1KDM4EHTR5AGRM4
SCHEMBL16503540 0.71 HTR5A (0.36) SLC9A1KDM4EHTR5AGRM4
SCHEMBL7918359 0.70 SLC9A1 (0.44) PLAUSLC9A1HTR5A
SCHEMBL9909261 0.69 HTR5A (0.49) PLAUSLC9A1F10KDM4EMAPT
SCHEMBL7915993 0.69 SLC9A1 (0.48) 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