SCHEMBL868061

SCHEMBL868061

C/C=C/c1ccc2c(c1)nc(CNC(=O)OCC1c3ccccc3-c3ccccc31)n2CCN(CC)CC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.51
HDAC8 Q9BY41 6/20 0.51
HDAC3 O15379 4/20 0.47
HDAC2 Q92769 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC4 P56524 3/20 0.47
HDAC7 Q8WUI4 3/20 0.47
HDAC10 Q969S8 3/20 0.47
HDAC11 Q96DB2 3/20 0.47
HDAC9 Q9UKV0 3/20 0.47
HDAC5 Q9UQL6 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
NCOR2 Q9Y618 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
SCHEMBL10173246 0.92 HDAC1 (0.48) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL842287 0.92 HDAC1 (0.51) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL3369119 0.78 HDAC1 (0.50) HDAC1HDAC8
SCHEMBL8243542 0.71 KMT2A (0.33)
SCHEMBL833990 0.71 HDAC1 (0.62) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL833989 0.71 HDAC1 (0.62) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL12560623 0.70 HDAC1 (0.63) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL833378 0.69 HDAC1 (0.77) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL830716 0.69 HDAC1 (0.77) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL833379 0.69 HDAC1 (0.77) HDAC1HDAC8HDAC3HDAC2HDAC6

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-8143282-B2 Heterocyclic compounds S*BIO PTE LTD. (SG) 2012-03-27 US disclosed