SCHEMBL13569741

SCHEMBL13569741

C=C(NCCc1ccncc1)N(CCN(C)C)Cc1ccc(C(=O)Nc2ccccc2N)nc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.45
HDAC3 O15379 10/20 0.45
HDAC2 Q92769 9/20 0.45
HDAC8 Q9BY41 6/20 0.45
HDAC10 Q969S8 5/20 0.45
HDAC6 Q9UBN7 5/20 0.45
HDAC4 P56524 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45
HIF1A Q16665 2/20 0.43
NCOR2 Q9Y618 2/20 0.42
ROCK1 Q13464 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR5A P47898 1/20 0.39
NCOR1 O75376 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 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
SCHEMBL4229186 0.92 HDAC1 (0.46) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL13570023 0.89 HDAC1 (0.45) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL13569891 0.89 HDAC1 (0.43) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL13569963 0.86 HDAC1 (0.43) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL13569889 0.86 HDAC1 (0.43) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL13569960 0.86 HDAC3 (0.45) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL4224169 0.85 HDAC1 (0.48) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL13570022 0.85 HDAC3 (0.41) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL13570003 0.84 HDAC1 (0.49) HDAC1HDAC3HDAC2SMN1; SMN2
SCHEMBL13569962 0.83 HDAC1 (0.45) HDAC1HDAC3HDAC2HDAC8HDAC10

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
EP-2133339-A1 NOVEL (2-AMINOPHENYL)PYRIDINECARBOXAMIDE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-12-16 EP disclosed