SCHEMBL8674533

SCHEMBL8674533

CN(C(=O)CCS)C1N=C(c2ccccc2)c2ccccc2N(C[C]=O)C1=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.49
CCKAR P32238 2/20 0.49
HDAC3 O15379 12/20 0.44
HDAC6 Q9UBN7 11/20 0.44
HDAC1 Q13547 9/20 0.44
HDAC8 Q9BY41 5/20 0.44
KCNH2 Q12809 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL8667954 0.85 CCKBR (0.48) CCKBRCCKARHDAC3HDAC6HDAC1
SCHEMBL8674133 0.85 CCKBR (0.48) CCKBRCCKARHDAC3HDAC6HDAC1
SCHEMBL8674155 0.83 CCKBR (0.47) CCKBRCCKARHDAC3HDAC6HDAC1
SCHEMBL8670033 0.83 CCKBR (0.47) CCKBRCCKARHDAC3HDAC6HDAC1
SCHEMBL8669315 0.81 CCKBR (0.48) CCKBRCCKARHDAC3HDAC6HDAC1
SCHEMBL8801488 0.77 FNTA (0.51) CCKBRCCKARHDAC3HDAC6HDAC1
SCHEMBL8676596 0.77 CCKBR (0.48) CCKBRCCKARHDAC3HDAC6HDAC1
SCHEMBL8674526 0.77 CCKBR (0.47) CCKBRCCKARHDAC3HDAC6HDAC1
SCHEMBL8669230 0.75 HTR2B (0.45) CCKBRCCKARKCNH2TP53
SCHEMBL8800222 0.72 FNTA (0.46) CCKBRCCKARHDAC3HDAC6HDAC1

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-5843941-A Ras farnesyl transferase inhibitors GENENTECH, INC. (US) 1998-12-01 US disclosed