SCHEMBL7913890

SCHEMBL7913890

C=C(O)c1ccc2cccc(-c3ncccc3C#N)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4B Q07343 1/20 0.36
HDAC1 Q13547 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
HTT P42858 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
F10 P00742 1/20 0.34
ADORA2A P29274 2/20 0.33
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
KLK1 P06870 1/20 0.33

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
SCHEMBL16509458 0.88 SLC22A12 (0.44) KDM4EMAPTMAPK1KMT2AHDAC1
SCHEMBL7906709 0.82 CA1 (0.41) KDM4EMAPTMAPK1KMT2AESR2
SCHEMBL7920242 0.81 ALOX15 (0.49) KDM4EMAPTMAPK1PDE4BHDAC1
SCHEMBL16503471 0.81 DOT1L (0.39) KDM4EMAPTTRPV1ESR1ESR2
SCHEMBL7917427 0.81 F2 (0.41) KDM4EMAPTMAPK1KMT2AESR1
SCHEMBL16509476 0.80 HTR5A (0.43) HDAC1CYP2C9CYP2C19
SCHEMBL7911041 0.78 F2 (0.35) KDM4EMAPTMAPK1KMT2APDE4B
SCHEMBL7920176 0.77 CCR1 (0.46) KDM4EMAPTHDAC1HTTF2
SCHEMBL7918689 0.74 KDM4E (0.45) KDM4EMAPTMAPK1KMT2AHTT
SCHEMBL16503580 0.71 XDH (0.38) KDM4EMAPTMAPK1SLC22A12CYP1A2

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