SCHEMBL4246009

SCHEMBL4246009

NC(=O)C=Cc1ccc(N=Nc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
MAPT P10636 6/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
PLIN1 O60240 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
RECQL P46063 2/20 0.47
PLIN5 Q00G26 2/20 0.47
ABHD5 Q8WTS1 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TNKS O95271 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47

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
SCHEMBL915665 0.85 HDAC3 (0.67) TRPA1MAPTHDAC1HDAC2HDAC3
SCHEMBL27680047 0.83 MAPT (0.61) MAPTHDAC1HDAC2HDAC3HDAC4
SCHEMBL28087042 0.83 MAPT (0.61) MAPTHDAC1HDAC2HDAC3HDAC4
SCHEMBL20303734 0.82 MAPT (0.67) MAPTHDAC1HDAC2HDAC3HDAC4
SCHEMBL649508 0.82 MAPT (0.67) MAPTHDAC1HDAC2HDAC3HDAC4
SCHEMBL20303732 0.82 MAPT (0.67) MAPTHDAC1HDAC2HDAC3HDAC4
SCHEMBL3239009 0.82 MAPT (0.67) MAPTHDAC1HDAC2HDAC3HDAC4
SCHEMBL159753 0.82 MAPT (0.67) MAPTHDAC1HDAC2HDAC3HDAC4
SCHEMBL1584710 0.81 MAPT (0.64) MAPTHDAC1HDAC2HDAC3HDAC4
SCHEMBL1584715 0.81 MAPT (0.64) MAPTHDAC1HDAC2HDAC3HDAC4

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
WO-2009089570-A1 FLOTATION AIDS AND PROCESSES FOR USING THE SAME THE UNIVERSITY OF MELBOURNE (AU) 2009-07-23 WO claimed
WO-2009089570-A1 FLOTATION AIDS AND PROCESSES FOR USING THE SAME THE UNIVERSITY OF MELBOURNE (AU) 2009-07-23 WO disclosed