SCHEMBL4409565

SCHEMBL4409565

CCCC1CC(=O)N(Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 8/20 0.54
TP53 P04637 5/20 0.51
MAPT P10636 6/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL30361183 0.83 MEN1 (0.44) TP53MAPTMEN1KMT2AKDM4E
SCHEMBL662385 0.83 MEN1 (0.44) TP53MAPTMEN1KMT2AKDM4E
SCHEMBL662975 0.82 LMNA (0.48) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL2951129 0.81 LMNA (0.43) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL1665637 0.81 LMNA (0.42) TP53MAPTSMN1; SMN2KDM4ETSHR
SCHEMBL2951145 0.81 GLA (0.48) TP53KDM4E
SCHEMBL661009 0.80 ALDH1A1 (0.38) TP53MAPTMEN1KMT2AKDM4E
SCHEMBL2954311 0.80 LMNA (0.48) TP53MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL17938020 0.79 KDM4E (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13238348 0.78 ALDH1A1 (0.41) TP53MAPTNPC1RAB9AKDM4E

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
EP-2050736-A1 Imidazole derivatives, processes for preparing them and their uses UCB Pharma, S.A. (BE) 2009-04-22 EP disclosed