SCHEMBL28030580

SCHEMBL28030580

CNC(=O)c1c[c]c(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC2 Q92769 1/20 0.50
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MMP13 P45452 1/20 0.46
PLK1 P53350 8/20 0.46
CA2 P00918 1/20 0.43
PLAU P00749 1/20 0.40
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38

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
SCHEMBL27624234 0.82 HDAC8 (0.52) HDAC8HDAC6HDAC2HPGDTSHR
SCHEMBL6189587 0.80 HDAC8 (0.50) HDAC8HDAC6HDAC2HPGDTSHR
SCHEMBL9901799 0.79 CA12 (0.42) HDAC6HPGDALDH1A1
SCHEMBL235433 0.78 HDAC8 (0.48) HDAC8HDAC6HDAC2HPGDTSHR
SCHEMBL12615099 0.78 HDAC8 (0.48) HDAC8HDAC6HDAC2HPGDTSHR
SCHEMBL2680684 0.77 MAPT (0.41) HPGDSMN1; SMN2ALDH1A1
SCHEMBL2237100 0.77 RAB9A (0.53) HPGDSMN1; SMN2
SCHEMBL1459630 0.76 TDP1 (0.55) HPGDTSHRHTTSMN1; SMN2CA2
SCHEMBL745459 0.76 PLK1 (0.55) HDAC8HDAC6HDAC2HPGDTSHR
SCHEMBL4774336 0.75 ALDH1A1 (0.34) HDAC6HPGDHTTSMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103025738-B Furopyridine compound and uses thereof NOVARTIS AG (CH) 2015-08-19 CN claimed
CN-103025738-B Furopyridine compound and uses thereof NOVARTIS AG (CH) 2015-08-19 CN disclosed