SCHEMBL9848086

SCHEMBL9848086

C=C(Cn1cncn1)C(O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP19A1 P11511 4/20 0.36
UGT1A4 P22310 1/20 0.36
PDE4D Q08499 1/20 0.36
FDPS P14324 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSP90AA1 P07900 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL9363949 0.75 CYP19A1 (0.40) MEN1KMT2ACYP19A1UGT1A4PDE4D
SCHEMBL16402219 0.72
SCHEMBL10508172 0.72 EGLN3 (0.45) CYP19A1FDPSEGLN3CYP3A4CYP1A2
SCHEMBL6435949 0.72 POLB (0.41) MEN1KMT2ACYP19A1UGT1A4PDE4D
SCHEMBL9788433 0.71 EGLN3 (0.56) MEN1KMT2ACYP19A1FDPSEGLN3
SCHEMBL6450361 0.70 LMNA (0.34) MEN1KMT2AHSP90AA1
SCHEMBL15756710 0.69 EGLN3 (0.40) MEN1KMT2ACYP19A1FDPSEGLN3
SCHEMBL1968152 0.68 TSHR (0.47) MEN1KMT2AFDPSEGLN3CYP3A4
SCHEMBL8468188 0.68 HSP90AA1 (0.49) MEN1KMT2ACYP19A1UGT1A4PDE4D
SCHEMBL28829940 0.68 FDPS (0.44) KMT2ACYP19A1UGT1A4PDE4DFDPS

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-0405264-A1 Hydroxy-keto-azoles BAYER AG (DE) 1991-01-02 EP disclosed