SCHEMBL8674155

SCHEMBL8674155

CCNC(CS)C(=O)N(C)C1N=C(c2ccccc2)c2ccccc2N(C[C]=O)C1=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 7/20 0.47
CCKAR P32238 2/20 0.47
HDAC3 O15379 6/20 0.42
HDAC1 Q13547 6/20 0.42
HDAC6 Q9UBN7 6/20 0.42
HDAC8 Q9BY41 3/20 0.41
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8670033 0.89 CCKBR (0.47) CCKBRCCKARHDAC3HDAC1HDAC6
SCHEMBL8674133 0.87 CCKBR (0.48) CCKBRCCKARHDAC3HDAC1HDAC6
SCHEMBL8667954 0.87 CCKBR (0.48) CCKBRCCKARHDAC3HDAC1HDAC6
SCHEMBL8669315 0.84 CCKBR (0.48) CCKBRCCKARHDAC3HDAC1HDAC6
SCHEMBL8674533 0.83 CCKBR (0.49) CCKBRCCKARHDAC3HDAC1HDAC6
SCHEMBL8801102 0.81 FNTA (0.52) CCKBRCCKARHDAC3HDAC1HDAC6
SCHEMBL8676596 0.80 CCKBR (0.48) CCKBRCCKARHDAC3HDAC1HDAC6
SCHEMBL8669230 0.78 HTR2B (0.45) CCKBRCCKARSMN1; SMN2
SCHEMBL8801804 0.76 FNTA (0.54) CCKBRCCKARKDM4ESMN1; SMN2
SCHEMBL8676603 0.74 CCKBR (0.48) CCKBRCCKARHDAC3HDAC1HDAC6

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