SCHEMBL16415519

SCHEMBL16415519

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
GPR35 Q9HC97 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TNNI3 P19429 1/20 0.35
TNNT2 P45379 1/20 0.35
TNNC1 P63316 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL16415516 0.87 MEN1 (0.36) MEN1KMT2AUSP2HTTKEAP1
SCHEMBL31281560 0.86 MEN1 (0.49) MEN1KMT2AUSP2HTTKEAP1
SCHEMBL23567196 0.86 MEN1 (0.49) MEN1KMT2AUSP2HTTKEAP1
SCHEMBL15398398 0.77 ALDH1A1 (0.44) MEN1KMT2AUSP2TDP1TNNI3
SCHEMBL23573166 0.75 AR (0.48) MEN1KMT2AUSP2HTTKEAP1
SCHEMBL22092317 0.69 MEN1 (0.46) MEN1KMT2AUSP2TDP1TNNI3
SCHEMBL13223630 0.69 MEN1 (0.37) MEN1KMT2ATNNI3TNNT2TNNC1
SCHEMBL17948545 0.69 KMT2A (0.44) MEN1KMT2A
SCHEMBL12879916 0.68 ALDH1A1 (0.47) MEN1KMT2AUSP2TNNI3TNNT2
SCHEMBL13026410 0.66 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9298088-B2 Fluorinated photopolymer with fluorinated sensitizer ORTHOGONAL, INC. (US) 2016-03-29 US disclosed
US-20150030982-A1 FLUORINATED PHOTOPOLYMER WITH FLUORINATED SENSITIZER ORTHOGONAL, INC. 2015-01-29 US disclosed