SCHEMBL6430075

SCHEMBL6430075

Cn1ncc(NC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
NAMPT P43490 1/20 0.44
KCNA3 P22001 1/20 0.44
USP30 Q70CQ3 3/20 0.43
PARP1 P09874 2/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
HSD11B1 P28845 2/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4D Q6B0I6 1/20 0.39
CTSK P43235 2/20 0.37
PDE10A Q9Y233 1/20 0.37
NTRK1 P04629 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL27620821 1.00 HDAC3 (0.49) HDAC3HDAC1HDAC2NAMPTKCNA3
SCHEMBL27620833 0.93 HDAC3 (0.41) HDAC3HDAC1HDAC2NAMPTKCNA3
SCHEMBL5497058 0.89 HDAC1 (0.39) HDAC3HDAC1HDAC2USP30KMT2A
SCHEMBL5496605 0.89 HDAC1 (0.39) HDAC3HDAC1HDAC2USP30KMT2A
SCHEMBL5499584 0.89 HDAC1 (0.39) HDAC3HDAC1HDAC2USP30KMT2A
SCHEMBL5500964 0.86 USP30 (0.51) USP30PARP1PDE10ACA1CA2
SCHEMBL5495007 0.82 TRPV1 (0.40) USP30
SCHEMBL5493363 0.82 MAPT (0.44) NAMPTCKS1BSKP1SKP2KMT2A
SCHEMBL5493346 0.81 HDAC1 (0.35) HDAC3HDAC1HDAC2CYP2C9
SCHEMBL5493786 0.80 USP30 (0.42) NAMPTUSP30PDE10ACA1CA2

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-1556389-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2005-07-27 EP disclosed
WO-2004039814-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2004-05-13 WO disclosed