SCHEMBL23567196

SCHEMBL23567196

CC1(C)CCN2CCC(C)(C)c3c2c1cc1c(C(F)(F)F)cc(=O)oc31

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
USP2 O75604 2/20 0.49
HTT P42858 1/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
GPR35 Q9HC97 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 3/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
CRHBP P24387 1/20 0.39
CYP2C19 P33261 1/20 0.39
CRHR2 Q13324 1/20 0.39
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
AR P10275 5/20 0.38
PGR P06401 3/20 0.38
NR3C2 P08235 1/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL31281560 1.00 MEN1 (0.49) MEN1KMT2AUSP2HTTKEAP1
SCHEMBL16415519 0.86 MEN1 (0.37) MEN1KMT2AUSP2HTTKEAP1
SCHEMBL16415516 0.85 MEN1 (0.36) MEN1KMT2AUSP2HTTKEAP1
SCHEMBL23573166 0.85 AR (0.48) MEN1KMT2AUSP2HTTKEAP1
SCHEMBL15398398 0.83 ALDH1A1 (0.44) MEN1KMT2AUSP2TDP1CYP1A2
SCHEMBL13223630 0.77 MEN1 (0.37) MEN1KMT2AALDH1A1TNNI3TNNT2
SCHEMBL22092317 0.75 MEN1 (0.46) MEN1KMT2AUSP2TDP1CASP1
SCHEMBL12879916 0.73 ALDH1A1 (0.47) MEN1KMT2AUSP2CASP1CASP7
SCHEMBL6336245 0.71 AR (0.56) MEN1KMT2ACASP1CASP7AR
SCHEMBL13026410 0.71 MEN1 (0.38) MEN1KMT2ATNNI3TNNT2TNNC1

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-3843167-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT Kyushu University, National University Corporation (JP) 2021-06-30 EP disclosed