SCHEMBL29955087

SCHEMBL29955087

COc1ccc(CSC2CCOCC2)cc1B(O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 3/20 0.41
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4D Q08499 5/20 0.38
PDE4A P27815 4/20 0.38
PDE4B Q07343 4/20 0.38
PDE4C Q08493 4/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
QRFPR Q96P65 5/20 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
SCHEMBL29952289 0.87 KMT2A (0.49) KMT2AALDH1A1SMN1; SMN2QRFPR
SCHEMBL29952913 0.82 PARP14 (0.40) PARP14KMT2A
SCHEMBL29953460 0.79 QRFPR (0.44) PARP14PDE4DPDE4APDE4BPDE4C
SCHEMBL29950770 0.78 PDE4D (0.44) HTTMEN1CYP2C19KMT2APDE4D
SCHEMBL29954864 0.75 KMT2A (0.42) PARP14KMT2A
SCHEMBL29950900 0.73 ENPP2 (0.46) PARP14ALDH1A1QRFPR
SCHEMBL31063056 0.72 CA1 (0.44) HTTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29953719 0.71 PARP14 (0.45) PARP14
SCHEMBL29951427 0.70 LIPG (0.38) PARP14
SCHEMBL15330913 0.69 HTT (0.62) HTTKMT2APDE4BALDH1A1SMN1; SMN2

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed