SCHEMBL4408059

SCHEMBL4408059

CCCC1CC(=O)N(Cn2c(Cc3ccccc3)nc3cc(C#N)ccc32)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.40
HDAC1 Q13547 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
ACSL1 P33121 1/20 0.37
IDH1 O75874 4/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
CNR2 P34972 3/20 0.35
CNR1 P21554 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CFTR P13569 1/20 0.35
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL661430 0.88 CNR2 (0.40) HDAC1IDH1CNR2
SCHEMBL663298 0.86 TLR7 (0.39) HDAC1CNR2
SCHEMBL27673238 0.86 CNR2 (0.42) CNR2
SCHEMBL2954311 0.86 LMNA (0.48) LMNAMEN1TP53KMT2ANPSR1
SCHEMBL1666145 0.85 S1PR1 (0.38) CNR2LMNA
SCHEMBL4416624 0.84 CNR2 (0.54) P2RX3HDAC1BCHEACHEACSL1
SCHEMBL27947209 0.83 IDH1 (0.34) IDH1CNR2CNR1
SCHEMBL2960082 0.82 P2RX3 (0.44) P2RX3LMNAMEN1TP53KMT2A
SCHEMBL661470 0.82 RORC (0.39) JAK2JAK1TYK2JAK3CNR2
SCHEMBL661009 0.80 ALDH1A1 (0.38) KDM4ELMNAMEN1TP53KMT2A

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