SCHEMBL30488782

SCHEMBL30488782

FC(F)(F)c1ccc(-c2nc(C3CN(C(c4ccccc4)c4ccccc4)C3)no2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.48
CPT1A P50416 1/20 0.48
CASP3 P42574 2/20 0.39
POLB P06746 2/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PDE10A Q9Y233 1/20 0.37
PLAT P00750 1/20 0.35
USP30 Q70CQ3 1/20 0.35
CNR2 P34972 1/20 0.34
GAA P10253 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
SCHEMBL25290141 1.00 CPT2 (0.48) CPT2CPT1ACASP3POLBSENP7
SCHEMBL25255606 0.76 CPT2 (0.46) CPT2CPT1ACASP3POLBSENP7
SCHEMBL29497022 0.76 CPT2 (0.46) CPT2CPT1ACASP3POLBSENP7
SCHEMBL30700470 0.69 CPT2 (0.49) CPT2CPT1APOLBKMT2ATSHR
SCHEMBL23149068 0.69 GRM5 (0.45) CASP3POLBSENP7SENP6TSHR
SCHEMBL25254795 0.69 NPSR1 (0.32) CPT1AKMT2AMEN1LMNAHTT
SCHEMBL25297083 0.67 CPT2 (0.46) CPT2CPT1ACASP3POLBKMT2A
SCHEMBL29496965 0.67 CPT2 (0.46) CPT2CPT1ACASP3POLBKMT2A
SCHEMBL12224331 0.66 LMNA (0.56) CPT2CPT1ACASP3LMNA
SCHEMBL12197778 0.66 CASP3 (0.46) CPT2CPT1ACASP3POLBCNR2

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-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 EP disclosed