SCHEMBL1165352

SCHEMBL1165352

O=C(C=Cc1ccc(Cn2cc(-c3ccc(CO)cc3)nn2)cc1)NO.O=C(C=Cc1cccc(Cn2cc(-c3ccccc3)nn2)c1)NO.O=C(C=Cc1cccc(Cn2cc(-c3cccnc3)nn2)c1)NO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 6/20 0.56
KDR P35968 5/20 0.56
HDAC1 Q13547 7/20 0.50
HDAC6 Q9UBN7 5/20 0.50
HDAC2 Q92769 5/20 0.50
HDAC3 O15379 4/20 0.50
HDAC8 Q9BY41 4/20 0.50
HDAC4 P56524 3/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
MEF2D Q14814 1/20 0.49
EPHB4 P54760 3/20 0.48
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.45
CASP3 P42574 1/20 0.45
KMT2A Q03164 1/20 0.45
SENP8 Q96LD8 1/20 0.45

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
SCHEMBL1165351 1.00 TEK (0.56) TEKKDRHDAC1HDAC6HDAC2
SCHEMBL2128518 0.91 HDAC4 (0.58) TEKKDRHDAC1HDAC6HDAC2
SCHEMBL2128515 0.91 HDAC4 (0.58) TEKKDRHDAC1HDAC6HDAC2
Hydrochloric Acid SCHEMBL1165269 0.87 TEK (0.50) TEKKDRHDAC1HDAC6HDAC2
SCHEMBL1165170 0.87 HDAC1 (0.61) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL1165168 0.87 HDAC1 (0.61) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL2128745 0.84 HDAC2 (0.64) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL2128746 0.84 HDAC2 (0.64) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL3439437 0.83 MEN1 (0.62) TEKKDRHDAC1HDAC6HDAC2
SCHEMBL3439452 0.80 HDAC1 (0.63) HDAC1HDAC6HDAC2HDAC3HDAC8

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
EP-2451790-A1 HISTONE DEACETYLASE INHIBITORS Anthem Biosciences Private Limited (IN) 2012-05-16 EP disclosed
WO-2011021209-A1 HISTONE DEACETYLASE INHIBITORS PORTSMOUTH TECHNOLOGIES LLC (US) 2011-02-24 WO disclosed