SCHEMBL22280472

SCHEMBL22280472

Cc1ccc(/C(=N/O)C(C)CN(C)C)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
USP2 O75604 1/20 0.33
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.30
HRH1 P35367 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
SCHEMBL22280469 0.72 CDK4 (0.33) KDM4EPOLBALOX15KMT2AMEN1
SCHEMBL4491812 0.69 HDAC1 (0.47) HDAC1HDAC6KDM4EPOLBADRA2A
SCHEMBL4491815 0.69 HDAC1 (0.47) HDAC1HDAC6KDM4EPOLBADRA2A
SCHEMBL5431595 0.67 HDAC1 (0.46) HDAC1HDAC6KDM4EPOLBALOX15
SCHEMBL19779264 0.67 HDAC1 (0.48) HDAC1HDAC6KDM4EPOLBADRA2A
SCHEMBL24233739 0.66 PADI4 (0.33) POLBALOX15MAPTHRH1
SCHEMBL31145160 0.66 PADI4 (0.38) HDAC1HDAC6KDM4EPOLBALOX15
SCHEMBL24365575 0.66 PADI4 (0.38) HDAC1HDAC6KDM4EPOLBALOX15
SCHEMBL29362978 0.65 ADRA2A (0.48) HDAC1HDAC6KDM4EPOLBALOX15
SCHEMBL641281 0.65 ADRA2A (0.48) HDAC1HDAC6KDM4EPOLBALOX15

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-2020154431-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY LYNCH KEVIN R (US) 2020-07-30 WO disclosed