SCHEMBL16503571

SCHEMBL16503571

CC=C(O)c1ccc2cccc(-c3c(Cl)cccc3C#N)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.35
SLC22A12 Q96S37 3/20 0.35
GRIA1 P42261 1/20 0.34
CACNG8 Q8WXS5 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
FASN P49327 2/20 0.32
GAA P10253 1/20 0.32
PPARG P37231 1/20 0.31
RORC P51449 1/20 0.31
HTT P42858 1/20 0.31
XDH P47989 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL7916729 0.85 SLC22A12 (0.42) SLC22A12GRIA1CACNG8PPARGRORC
SCHEMBL16509549 0.81 TP53 (0.41) L3MBTL1HTTMEN1ALDH1A1MAPT
SCHEMBL7918374 0.79 L3MBTL1 (0.34) SLC22A12GRIA1CACNG8L3MBTL1FASN
SCHEMBL7923274 0.77 HTR2B (0.47) CYP2C9CYP2C19
SCHEMBL16503550 0.72 KDM4E (0.36) RORCKDM4EMEN1KMT2A
SCHEMBL16503577 0.71 ESR1 (0.34) HTTMEN1ALDH1A1MAPTKMT2A
SCHEMBL7908665 0.71 PLA2G2D (0.49) CA1CA2KDM4EMEN1KMT2A
SCHEMBL7920119 0.71 PLA2G2D (0.44) SLC22A12PPARGRORC
SCHEMBL16502478 0.71 ALDH1A1 (0.41) SLC22A12CA1CA2GAAXDH
SCHEMBL16503582 0.70 LMNA (0.34) MEN1MAPTKMT2A

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
EP-2394987-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-14 EP disclosed