SCHEMBL8917026

SCHEMBL8917026

O=[C]NOCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
KMT2A Q03164 2/20 0.43
HTR2A P28223 1/20 0.42
EPHX2 P34913 1/20 0.40
FABP5 Q01469 3/20 0.39
FABP7 O15540 2/20 0.39
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
CASP3 P42574 2/20 0.34

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
SCHEMBL16938443 0.76 CA1 (0.49) CA1CA2KMT2AHTR2AEPHX2
SCHEMBL7764 0.76 CA1 (0.53) CA1CA2KMT2AHTR2AEPHX2
SCHEMBL7503402 0.75 CA1 (0.49) CA1CA2KMT2AHTR2AEPHX2
SCHEMBL1358455 0.74 KMT2A (0.52) CA1CA2KMT2AHTR2AEPHX2
SCHEMBL19873138 0.74 KMT2A (0.52) CA1CA2KMT2AHTR2AEPHX2
SCHEMBL29354284 0.74 KMT2A (0.52) CA1CA2KMT2AHTR2AEPHX2
SCHEMBL16485220 0.73 CA1 (0.46) CA1CA2KMT2AHTR2AEPHX2
SCHEMBL7270343 0.73 CA1 (0.50) CA1CA2KMT2AHTR2AEPHX2
SCHEMBL2730698 0.72 CA1 (0.57) CA1CA2KMT2AHTR2AEPHX2
SCHEMBL1509215 0.72 HTR2A (0.47) CA1CA2KMT2AHTR2AEPHX2

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-5633364-A N4 -substituted 2'-deoxycytidine compounds, oligonucleotides including N4 -labeled 2'-deoxycytidines, and a process for making oligonucleotides with N-modified 2'-deoxycytidines AMOCO CORPORATION (US) 1997-05-27 US claimed