SCHEMBL20120045

SCHEMBL20120045

Cc1ccccc1CN1C(=O)C2=C(CCN(CC3=CC(Br)CC=C3)C2)N2CCN=C12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLPP Q16740 6/20 0.71
▸ CYP3A4 P08684 2/20 0.71
▸ GPR132 Q9UNW8 2/20 0.71
▸ CYP2D6 P10635 1/20 0.71
▸ DRD2 P14416 1/20 0.71
▸ DRD3 P35462 1/20 0.71
▸ KCNH2 Q12809 1/20 0.71
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ HDAC1 Q13547 6/20 0.57
▸ HDAC3 O15379 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ NCOR2 Q9Y618 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL18254991 0.87 CLPP (0.89) CLPPCYP3A4GPR132CYP2D6DRD2
SCHEMBL21418081 0.84 CLPP (0.75) CLPPCYP3A4GPR132CYP2D6DRD2
SCHEMBL18254980 0.83 CLPP (0.79) CLPPCYP3A4GPR132CYP2D6DRD2
SCHEMBL29595454 0.83 CLPP (0.79) CLPPCYP3A4GPR132CYP2D6DRD2
SCHEMBL18254989 0.83 CLPP (0.79) CLPPCYP3A4GPR132CYP2D6DRD2
Dordaviprone SCHEMBL16227974 0.83 CLPP (1.00) CLPPCYP3A4GPR132CYP2D6DRD2
Dordaviprone SCHEMBL29359574 0.83 CLPP (1.00) CLPPCYP3A4GPR132CYP2D6DRD2
Dordaviprone SCHEMBL29414943 0.82 CLPP (0.98) CLPPCYP3A4GPR132CYP2D6DRD2
Dordaviprone SCHEMBL31548590 0.82 CLPP (0.98) CLPPCYP3A4GPR132CYP2D6DRD2
SCHEMBL18254995 0.82 CLPP (0.82) CLPPCYP3A4GPR132CYP2D6DRD2

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-3315498-A1 IMIDAZO-PYRIMIDONE COMPOUNDS, AND PREPARATION METHOD AND APPLICATION THEREOF Nanjing Gator Meditech Company, Ltd. (CN) 2018-05-02 — — EP disclosed
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