SCHEMBL4870752

SCHEMBL4870752

CC(C)C(NC(=O)N1CCCCc2ccccc21)C(=O)Nc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.57
LMNA P02545 4/20 0.57
MAPT P10636 2/20 0.57
TP53 P04637 2/20 0.55
NPC1 O15118 1/20 0.55
PKM P14618 1/20 0.55
NFKB1 P19838 1/20 0.55
RAB9A P51151 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
THRB P10828 1/20 0.54
AVPR1A P37288 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL4867471 0.82 TP53 (0.81) POLBLMNAMAPTTP53NPC1
SCHEMBL4868227 0.82 POLB (0.60) POLBLMNAMAPTSMN1; SMN2THRB
SCHEMBL4869023 0.81 TP53 (0.78) POLBLMNAMAPTTP53NPC1
SCHEMBL4870223 0.81 TP53 (0.57) POLBLMNAMAPTTP53NPC1
SCHEMBL4870873 0.77 POLB (0.61) POLBLMNAMAPTTP53THRB
SCHEMBL4868334 0.75 POLB (0.59) POLBLMNAMAPTTP53SMN1; SMN2
SCHEMBL4863126 0.75 POLB (0.83) POLBLMNAMAPTTP53NPC1
SCHEMBL4869602 0.75 MAPT (0.71) POLBLMNAMAPTTP53NPC1
SCHEMBL4868688 0.74 LMNA (0.53) POLBLMNAMAPTTP53NPC1
SCHEMBL4865198 0.74 MAPT (0.70) POLBLMNAMAPTTP53NPC1

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-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US claimed