SCHEMBL5047774

SCHEMBL5047774

CSc1cccc(B(O)O)c1N

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 1/20 0.31
IDO1 P14902 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
SCHEMBL10862658 0.79 MEN1 (0.38) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL3781543 0.79 LIPG (0.33) ENPP2ALDH1A1KDM4EHTT
SCHEMBL29367623 0.78 ENPP2 (0.43) ENPP2ALDH1A1HTTMEN1KMT2A
SCHEMBL24389 0.78 ENPP2 (0.43) ENPP2ALDH1A1HTTMEN1KMT2A
SCHEMBL3784638 0.77 SIRT1 (0.43) ALDH1A1KDM4EMAPT
SCHEMBL3786200 0.77 ENPP2 (0.34) ENPP2ALDH1A1HTTMEN1KMT2A
SCHEMBL30382013 0.77 ENPP2 (0.34) ENPP2ALDH1A1HTTMEN1KMT2A
SCHEMBL7799864 0.74 ALOX15 (0.42) ALDH1A1KDM4EMAPTRAB9A
SCHEMBL5515841 0.73 CD44 (0.48) ALDH1A1MEN1KMT2AMAPT
SCHEMBL3780774 0.73 KMT2A (0.34) ENPP2ALDH1A1HTTMEN1KMT2A

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-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed