SCHEMBL8713496

SCHEMBL8713496

CCOP(=O)(COCOCn1cnc2c(Cl)nc(NC(C)=O)nc21)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.40
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 5/20 0.34
HDAC6 Q9UBN7 5/20 0.34
HDAC4 P56524 2/20 0.34
HDAC2 Q92769 2/20 0.33
ABCB11 O95342 1/20 0.33
POLA1 P09884 1/20 0.33
POLG P54098 1/20 0.33
FAP Q12884 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL8709228 0.83 HSP90AB1 (0.47) HDAC1HDAC6HDAC4HSP90AA1HSP90AB1
SCHEMBL8713510 0.82 MEN1 (0.41) ACHEMEN1TSHRKMT2AHDAC1
SCHEMBL9366802 0.78 MEN1 (0.63) ACHEMEN1TSHRKMT2AHDAC1
SCHEMBL8711549 0.76 ACHE (0.40) ACHEMEN1TSHRKMT2AHDAC1
SCHEMBL9575539 0.76 MEN1 (0.48) ACHEMEN1TSHRKMT2AHDAC1
SCHEMBL8713036 0.75 ACHE (0.47) ACHEMEN1TSHRKMT2AHDAC1
SCHEMBL8896639 0.73 ACHE (0.44) ACHEMEN1TSHRKMT2AHDAC1
SCHEMBL10405793 0.72 ACHE (0.44) ACHEMEN1TSHRKMT2AHDAC1
SCHEMBL9575550 0.72 ACHE (0.42) ACHEMEN1TSHRKMT2AHDAC1
SCHEMBL8711561 0.72 ACHE (0.39) ACHEMEN1TSHRKMT2AHDAC1

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-5726174-A VIRICIDES, ANTITUMOR AGENTS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1998-03-10 US disclosed