SCHEMBL4753450

SCHEMBL4753450

Cc1cc(=O)n(-c2nccs2)c(C2CCC(C(F)(F)F)CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 4/20 0.34
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 3/20 0.31
GRM7 Q14831 1/20 0.31
CNR1 P21554 1/20 0.31
LCAT P04180 1/20 0.31
GAA P10253 1/20 0.30
MAT2A P31153 1/20 0.30
SCD O00767 1/20 0.30

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
SCHEMBL13985521 1.00 SPR (0.34) SPRTDP1POLBAPEX1RECQL
SCHEMBL4756546 0.83 SPR (0.34) SPRL3MBTL1MAPTCNR1
SCHEMBL13985526 0.83 SPR (0.34) SPRL3MBTL1MAPTCNR1
SCHEMBL4756541 0.83 SPR (0.34) SPRL3MBTL1MAPTCNR1
SCHEMBL13985500 0.81 SPR (0.33) SPR
SCHEMBL4753494 0.81 SPR (0.33) SPR
SCHEMBL4755215 0.77 DRD1 (0.40) POLBALDH1A1MEN1KMT2AHTT
SCHEMBL4755594 0.77 DRD1 (0.37) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL4755592 0.77 DRD1 (0.37) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL4755213 0.77 DRD1 (0.40) POLBALDH1A1MEN1KMT2AHTT

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
WO-2008156607-A1 SUBSTITUTED PYRIMIDINONES NEUROGEN CORPORATION (US) 2008-12-24 WO claimed