SCHEMBL20113933

SCHEMBL20113933

Fc1ccc(-c2c3ccccc3c(-c3c(F)c(F)c(C(F)(F)F)c(F)c3F)c3c(F)cccc23)cc1F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP2D6 P10635 1/20 0.32
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.31
DHODH Q02127 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL2727120 0.95 CYP1A2 (0.32) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL2711496 0.95 MEN1 (0.33) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL12086211 0.93 CYP1A2 (0.33) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL12086229 0.91 CYP1A2 (0.32) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL2724992 0.91 CYP1A2 (0.33) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL2726675 0.91 MEN1 (0.35) MEN1KMT2ACYP1A2HSD17B1HSD17B2
SCHEMBL12086133 0.90 CYP1A2 (0.32) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL2732846 0.89 MEN1 (0.34) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL2711361 0.89 TRPA1 (0.35) MEN1KMT2ACYP1A2HSD17B1HSD17B2
SCHEMBL2726318 0.88 CYP1A2 (0.32) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6

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-2445987-B1 BLUE/VIOLET DIPHENYLANTHRACENE CHEMILUMINESCENT FLUORESCERS CYALUME TECH INC (US) 2018-05-02 EP disclosed