SCHEMBL27364098

SCHEMBL27364098

CCC(=O)Oc1c(-c2ccc(F)cc2)c2ccn(C)c2c(=O)n1C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
LIPG Q9Y5X9 1/20 0.34
CENPE Q02224 3/20 0.34
TACR1 P25103 4/20 0.33
GRIA2 P42262 1/20 0.33
GRIA4 P48058 1/20 0.33
MAPK14 Q16539 4/20 0.33
HTT P42858 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
TRPA1 O75762 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL27371705 0.83 CENPE (0.48) CENPETACR1GRIA2GRIA4MAPK14
SCHEMBL27371087 0.79 MAPK14 (0.35) TP53LIPGMAPK14HTTNCOA3
SCHEMBL27375508 0.79 CENPE (0.35) TP53CENPETACR1GRIA2GRIA4
SCHEMBL7843260 0.77 GABRA2 (0.41) CENPETACR1MEN1ALDH1A1MAPT
SCHEMBL7851323 0.76 GRIA4 (0.44) CENPETACR1GRIA2GRIA4MAPK14
SCHEMBL27539886 0.67 ADORA3 (0.41) TP53TACR1HTTALDH1A1MAPT
SCHEMBL31590072 0.64 BRD4 (0.46)
SCHEMBL30008443 0.63 CHRNA7 (0.38) MAPK14SMN1; SMN2
SCHEMBL30218351 0.62 POLB (0.37) GRIA2GRIA4MAPK14MEN1KMT2A
SCHEMBL14809648 0.62 MEN1 (0.42) TP53CENPETACR1MEN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1052004-C Heterocyclic compounds, their production and use TALCEDA CHEMICAL IND LTD (JP) 2000-05-03 CN disclosed
CN-1107476-A Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-08-30 CN disclosed