SCHEMBL7918374

SCHEMBL7918374

CC/C=C(\OC)c1ccc2cccc(-c3c(Cl)cccc3C#N)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.34
CASR P41180 5/20 0.32
SLC22A12 Q96S37 1/20 0.31
PDE10A Q9Y233 1/20 0.31
F10 P00742 1/20 0.31
KDM4E B2RXH2 2/20 0.31
FASN P49327 2/20 0.31
GRIA1 P42261 1/20 0.31
CACNG8 Q8WXS5 1/20 0.31
PGK1 P00558 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADRB2 P07550 2/20 0.30
CYP2D6 P10635 2/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 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
SCHEMBL16509549 0.82 TP53 (0.41) L3MBTL1MEN1NPC1RAB9AKMT2A
SCHEMBL16503571 0.79 MCL1 (0.35) L3MBTL1GAASLC22A12KDM4EFASN
SCHEMBL7916729 0.77 SLC22A12 (0.42) SLC22A12KDM4EGRIA1CACNG8MEN1
SCHEMBL7923274 0.72 HTR2B (0.47) CYP2D6
SCHEMBL16502488 0.69 TP53 (0.47) L3MBTL1GAAKDM4EMEN1NPC1
SCHEMBL16502476 0.69 ABL1 (0.43) L3MBTL1SLC22A12KDM4EMEN1NPC1
SCHEMBL16502474 0.69 NPC1 (0.41) L3MBTL1GAASLC22A12F10KDM4E
SCHEMBL16502478 0.68 ALDH1A1 (0.41) GAASLC22A12KDM4EMEN1NPC1
SCHEMBL10064207 0.68 L3MBTL1 (0.45) L3MBTL1GAASLC22A12KDM4EMEN1
SCHEMBL16502466 0.66 KIF11 (0.43) L3MBTL1GAAF10KDM4EMEN1

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