SCHEMBL9467692

SCHEMBL9467692

CC(C(O)C=Cc1ccc(OC(F)(F)F)cc1)n1cncn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 4/20 0.35
CYP2D6 P10635 2/20 0.34
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PDE2A O00408 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MAPT P10636 2/20 0.32
CYP19A1 P11511 1/20 0.32
GRM7 Q14831 1/20 0.32
SCN5A Q14524 1/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 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
SCHEMBL9467685 1.00 POLB (0.38) POLBHSP90AA1KMT2AMEN1TDP1
SCHEMBL9362514 0.81 CYP19A1 (0.47) POLBHSP90AA1KMT2AMEN1TDP1
SCHEMBL9362509 0.81 CYP19A1 (0.47) POLBHSP90AA1KMT2AMEN1TDP1
SCHEMBL9362865 0.78 APP (0.43) CYP3A4CYP2D6GRIK1GRIK2LMNA
SCHEMBL9362870 0.78 APP (0.43) CYP3A4CYP2D6GRIK1GRIK2LMNA
SCHEMBL10565622 0.76 PDE2A (0.44) POLBHSP90AA1KMT2AMEN1TDP1
SCHEMBL9362897 0.74 CYP19A1 (0.43) POLBHSP90AA1KMT2AMEN1TDP1
SCHEMBL6947959 0.74 MEN1 (0.46) POLBHSP90AA1KMT2AMEN1TDP1
SCHEMBL9082770 0.73 POLB (0.40) POLBHSP90AA1KMT2AMEN1TDP1
SCHEMBL9967727 0.71 PDE2A (0.42) CYP3A4CYP2D6GRIK1GRIK2LMNA

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
US-5266586-A Fungicidal substituted triazoles BAYER AKTIENGESELLSCHAFT (DE) 1993-11-30 US claimed