SCHEMBL19976887

SCHEMBL19976887

C[C@H]1CC1(C)c1ccc2c(oc3ccccc32)c1N1C=CN(C)C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
PGR P06401 1/20 0.33
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL20752001 0.78 PGR (0.35) MEN1CYP2C19KMT2APGRMAPK1
SCHEMBL26026835 0.72 HRH4 (0.33) MEN1KMT2AMAPK1HSD17B10
SCHEMBL12349444 0.72 ALOX5 (0.38) MEN1CYP2C19KMT2AHSD17B10
Iodide SCHEMBL27085288 0.71 ALOX5 (0.38) MEN1CYP2C19KMT2AHSD17B10
SCHEMBL14819936 0.67 MEN1 (0.31) MEN1CYP2C19KMT2A
SCHEMBL24577518 0.66 MEN1 (0.33) MEN1CYP2C19KMT2APGRMAPK1
SCHEMBL18700403 0.66 KDM4E (0.46) MEN1CYP2C19KMT2APGRMAPK1
SCHEMBL14878701 0.65 MEN1 (0.34) MEN1CYP2C19KMT2APGR
SCHEMBL20356184 0.65 MEN1 (0.38) MEN1CYP2C19KMT2APGRMAPK1
SCHEMBL20365240 0.64 MEN1 (0.34) MEN1CYP2C19KMT2APGRHSD17B10

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-9923154-B2 Organic electroluminescent element, lighting device, and display device Konica Minolta, Inc. (JP) 2018-03-20 US disclosed