SCHEMBL8548951

SCHEMBL8548951

CCOC(=O)CSc1cc(-n2ncc(C(F)(F)F)cc2=O)c(F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
PPOX P50336 3/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HPGD P15428 3/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL8548321 0.90 PPOX (0.38) POLBL3MBTL1PPOXCYP1A2CYP2C19
SCHEMBL4681755 0.84 PPOX (0.41) POLBL3MBTL1PPOXALDH1A1CYP1A2
SCHEMBL4678732 0.78 MAPK1 (0.40) L3MBTL1PPOXALDH1A1CYP1A2CYP3A4
SCHEMBL4681745 0.78 MEN1 (0.37) POLBL3MBTL1ALDH1A1LMNAMEN1
SCHEMBL4677762 0.77 MEN1 (0.41) POLBL3MBTL1PPOXALDH1A1CYP1A2
SCHEMBL4679256 0.77 MAPK1 (0.33) L3MBTL1PPOXALDH1A1MEN1KMT2A
SCHEMBL4681716 0.77 PPOX (0.55) POLBL3MBTL1PPOXALDH1A1CYP1A2
SCHEMBL4682095 0.77 PKM (0.34) L3MBTL1ALDH1A1LMNAMEN1KMT2A
SCHEMBL7113369 0.77 ALDH1A1 (0.44) POLBL3MBTL1PPOXALDH1A1LMNA
SCHEMBL7113367 0.77 ALDH1A1 (0.44) POLBL3MBTL1PPOXALDH1A1LMNA

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-0850227-A1 PYRIDAZIN-3-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-01 EP disclosed