SCHEMBL3384945

SCHEMBL3384945

Cc1cc([AsH2])ccc1OCc1ccccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.44
MAOB P27338 1/20 0.44
ALOX15 P16050 1/20 0.40
FFAR1 O14842 2/20 0.40
MAPK14 Q16539 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 2/20 0.39
SGMS2 Q8NHU3 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
FFAR4 Q5NUL3 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL9666257 0.86 PLAU (0.49) PLAUALDH1A1KMT2AMAOBALOX15
SCHEMBL2747966 0.83 PLAU (0.53) PLAUALDH1A1KMT2AMAOBALOX15
SCHEMBL8395008 0.82 PLAU (0.53) PLAUALDH1A1KMT2AMAOBFFAR1
SCHEMBL29787368 0.82 PLAU (0.53) PLAUALDH1A1KMT2AMAOBFFAR1
SCHEMBL2747993 0.78 KMT2A (0.45) PLAUALDH1A1KMT2AMAOBMEN1
SCHEMBL12111157 0.76 ALDH1A1 (0.48) PLAUALDH1A1KMT2AMAOBALOX15
SCHEMBL31568528 0.75 RAB9A (0.48) PLAUALDH1A1KMT2AMAOBALOX15
SCHEMBL27320289 0.73 TSHR (0.50) PLAUALDH1A1KMT2AMAOBFFAR1
SCHEMBL9571372 0.72 ALDH1A1 (0.49) PLAUALDH1A1KMT2AMAOBALOX15
SCHEMBL8783073 0.70 CDK4 (0.47) ALDH1A1NPC1RAB9ATSHRMAPK1

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-2010036910-A1 HEART PROTECTION BY ADMINISTERING AN AMP-ACTIVATED PROTEIN KINASE ACTIVATOR OHTA YOSHIKAZU (JP) 2010-04-01 WO disclosed